Technology, Engineering & Agriculture Books

Book SynopsisA groundbreaking guide to the commercialization of scientific breakthroughs in chemistry, from successful entrepreneurs Chemistry Entrepreneurship is a step-by-step guide that is specifically devoted to understanding what it takes to start and grow a new company in the chemistry sector. Comprehensive in scope, the book covers the various aspects of the creation of a new chemical enterprise including: the protection of the invention, the business plan, the transfer from the research center or university, the financing, the legal setup, the launching of the company and its growth and exit strategies. This hands-on book contains the information needed to help to determine if you have what it takes to be a chemistry entrepreneur, explains how to take an ideas out of the lab and into the real world, reveals how to develop your burgeoning business, and shows how to sustain and grow your business. This much-needed resource also includes interviews with founding scientists who created their own successful chemical companies. This important book: Provides the practical information on how to start a company based on a scientific breakthrough Offers information on the mindset it takes to become, and remain, successful in the marketplace Presents case studies from world-renowned and highly experienced professionals who have successfully started a company Written for chemists in industry, chemists, materials scientists, chemical engineers, Chemistry Entrepreneurshipis a guide for becoming a founder of a successful chemical company.Table of ContentsForeword xv Preface xvii 1 We Need An Entrepreneurial Culture in Chemistry: Do You Have What It Takes to be a Chemistry Entrepreneur? 1 Frank L. Jaksch 1.1 Introduction: Disruptive Innovation in Chemistry is in High Demand 1 1.2 Examples of Innovation in Chemistry Catching the Eye of the Mainstream Market 2 1.2.1 Food and Nutrition 2 1.2.1.1 Just (formerly Hampton Creek) 2 1.2.1.2 Impossible Foods 2 1.2.1.3 Perfect Day 2 1.2.1.4 Endless West (formerly Ava Winery) 3 1.2.2 Sustainable/Renewable Chemistry 3 1.2.2.1 Ginkgo Bioworks 3 1.2.2.2 Modern Meadow 3 1.2.2.3 Genomatica 3 1.2.2.4 Zymergen 3 1.2.3 Biotech/Pharma 3 1.2.3.1 Moderna Therapeutics 4 1.2.3.2 Unity Biotechnology 4 1.2.3.3 CRISPR Therapeutics, Intellia Therapeutics, and Editas Medicine 4 1.2.4 Diagnostics 4 1.2.4.1 23andme 5 1.2.4.2 Grail Diagnostics 5 1.2.4.3 Viome 5 1.2.5 Cautionary Tales 5 1.2.5.1 Theranos 5 1.2.5.2 Solazyme (TerraVia) 6 1.3 Unique Challenges for Chemistry Entrepreneurs 6 1.3.1 The Most Important Trait of Every Chemical Entrepreneur 7 1.3.2 Chemistry Accelerators, Incubators, and Academic Spin-offs 9 1.3.3 Do Something, do Anything, even if it is Wrong 10 1.3.3.1 Penicillin 10 1.3.3.2 Post-It 11 1.3.3.3 Saccharin 11 1.3.3.4 Teflon 11 1.3.3.5 Viagra 12 1.3.4 You have your Discovery; now you need a Patent 13 1.3.4.1 Provisional Patent 13 1.3.4.2 Patent Application 13 1.3.4.3 Patent Prosecution 13 1.3.4.4 Structure of the Patent Claims 13 1.3.4.5 Patent Search and Prior Art 13 1.3.4.6 Publishing Before Patenting 14 1.3.4.7 PCT International Patent 14 1.3.4.8 Protectable Patent Value 14 1.3.4.9 Selecting the Wrong Lawyer for the Job 14 1.4 Invention is Only the Beginning of Creating a Company 15 1.4.1 Know your Role: Founding CEO vs. Founder vs. Inventor 16 1.4.2 Raising Money: Acquiring the Right Money at the Right Time 17 1.4.2.1 Self-funding 18 1.4.2.2 Friends and Family 18 1.4.2.3 Angel Investors 18 1.4.2.4 Accelerators and Incubators 18 1.4.2.5 Debt 18 1.4.2.6 Strategic Investment 19 1.4.2.7 Private Equity 19 1.4.2.8 Venture Capital 19 1.4.2.9 Investment Banks 20 1.4.3 Can you get the idea for Commercialization? 21 1.4.4 When you are Ready to Commercialize, which path do you take? 22 1.4.4.1 Licensing Deal 22 1.4.4.2 Business-to-Business (B2B) 23 1.4.4.3 Business-to-Consumer (B2C) 23 1.5 Do you have the Traits of an Entrepreneur? 24 1.6 Summary: Do You Have What It Takes? 28 Recommended Readings and References 30 Author Biography 30 2 Taking Ideas Out of the Lab: Why and When to Start a Company in the Biomedical Field 33 Miguel Jimenez, Jason Fuller, Paulina Hill, and Robert Langer 2.1 Introduction 33 2.2 Company Case Studies: Interviews with the Founding Scientists 34 2.2.1 Advanced Inhalation Research: Interview with David Edwards 34 2.2.1.1 Core Technology 34 2.2.1.2 What was the Key Problem and Initial Idea that Sparked the Work? 34 2.2.1.3 Why was it Important to Start Advanced Inhalation Research? 35 2.2.1.4 When was the Technology Ready to Start Advanced Inhalation Research? 35 2.2.1.5 What Lessons Did You Learn Through This Process? 35 2.2.1.6 Current Status 35 2.2.2 Kala Pharmaceuticals: Interview with Justin Hanes 36 2.2.2.1 Core Technology 36 2.2.2.2 What was the Key Problem and Initial Idea that Sparked the Work? 36 2.2.2.3 Why was it Important to Start Kala Pharmaceuticals? 36 2.2.2.4 When was the Technology Ready to Start Kala Pharmaceuticals? 36 2.2.2.5 What Lessons Did You Learn Through This Process? 37 2.2.2.6 Current Status 37 2.2.3 Moderna: Interview with Derrick Rossi 37 2.2.3.1 Core Technology 37 2.2.3.2 What was the Key Problem and Initial Idea that Sparked the Work? 37 2.2.3.3 Why was it Important to Start Moderna? 38 2.2.3.4 When was the Technology Ready to Start Moderna? 38 2.2.3.5 What Lessons Did You Learn Through This Process? 38 2.2.3.6 Current Status 38 2.2.4 Sigilon Therapeutics: Interview with Arturo Vegas 38 2.2.4.1 Core Technology 39 2.2.4.2 What was the Key Problem and Initial Idea that Sparked the Work? 39 2.2.4.3 Why was it Important to Start Sigilon? 39 2.2.4.4 When was the Technology Ready to Start Sigilon? 39 2.2.4.5 What Lessons Did You Learn Through This Process? 40 2.2.4.6 Current Status 40 2.2.5 Suono Bio: Interview with Carl Schoellhammer 40 2.2.5.1 Core Technology 40 2.2.5.2 What was the Key Problem and Initial Idea that Sparked the Work? 40 2.2.5.3 Why was it Important to Start Suono Bio? 40 2.2.5.4 When was the Technology Ready to Start Suono Bio? 41 2.2.5.5 What Lessons Did You Learn Through This Process? 41 2.2.5.6 Current Status 41 2.2.6 Vivtex: Interview with Thomas von Erlach 41 2.2.6.1 Core Technology 41 2.2.6.2 What was the Key Problem and Initial Idea that Sparked the Work? 41 2.2.6.3 Why was it Important to Start Vivtex? 42 2.2.6.4 When was the Technology Ready to Vivtex? 42 2.2.6.5 What Lessons Did You Learn Through This Process? 42 2.2.6.6 Current Status 42 2.3 Why Start a Company? 43 2.3.1 To Have the Largest Impact on Patients 43 2.3.2 To Introduce a New Platform Technology 44 2.3.3 Is Licensing an Alternative? 45 2.3.3.1 Licensing to Existing Companies 46 2.3.3.2 Corporate-sponsored Academic Research 46 2.4 When to Start a Company? 47 2.4.1 Is There Enough In Vivo Validation? 47 2.4.2 Was a Patent Filed? 48 2.4.3 Was a Paper Published? 49 2.5 The Secret Ingredient: Who and What? 51 2.5.1 Who Will Start the Company? 51 2.5.1.1 Seasoned Mentors as Co-founders 52 2.5.1.2 Finding a Great CEO 52 2.5.2 What Will the Company Actually Sell? 53 2.6 Summary: Lessons Learned 54 2.6.1 Lesson 1: Work on a High-impact, Platform Technology 54 2.6.2 Lesson 2: Patent Early and Broadly 54 2.6.3 Lesson 3: Keep the Tech in the Lab as Long as Possible 55 2.6.4 Lesson 4: Must have in vivo Efficacy and Safety 55 2.6.5 Lesson 5: Publish in Top Scientific Journals 55 2.6.6 Lesson 6: Partner with Seasoned Entrepreneurs 55 Further Reading 57 Author Biographies 58 3 In Pursuit of New Product Opportunities: Transferring Technology from Lab to Market 61 Alex Duchak 3.1 Introduction 61 3.1.1 Entrepreneurship and Technology Transfer 61 3.1.2 Pursuing Commercial Product/Service Opportunities via Technology Transfer 63 3.1.3 A Model for Entrepreneurship via Technology Transfer 65 3.1.4 Extracting Technologies from Research Institutions 68 3.2 Technology Discovery and Development 69 3.2.1 Origins of Technology 69 3.2.2 Technology Transfer Communication Models 70 3.2.3 Transitioning Technologies into Products 70 3.2.4 Timing Technology with Industry Acceptance 73 3.3 Customer Discovery and Development 76 3.3.1 Origins of Market Demand and Unmet Needs 76 3.3.2 Identifying a Technology’s Uses 77 3.3.3 The Value Chain for Target Applications 77 3.3.4 Identifying Stakeholders in the Value Chain 78 3.3.5 Designing Product Experiments 82 3.3.6 Customer Discovery and Validation Model 83 3.3.6.1 Customer Routines Analysis 85 3.4 Case Study: The Naval Research Laboratory’s Self-Decontaminating Material 89 3.4.1 The Challenge 90 3.4.2 The Scientist 90 3.4.3 The Problem 90 3.4.4 The Solution 90 3.4.5 The Future of the Technology and Future Applications 91 3.4.6 Technology Background and Advantages 91 3.4.7 Benefits 92 3.4.8 Problem 92 3.4.9 Technical Approach 93 3.4.10 Solution 93 3.4.11 Industrial Safety and Hygiene 96 3.4.12 Healthcare and Pharmaceuticals 97 3.4.13 First Response 98 Suggested Reading and Resources 101 Author Biography 101 4 Financing and Business Development for Hard Tech Startups 103 Bernard Lupien and Andrew Dougherty 4.1 Introduction 103 4.2 Challenges in Financing Hard Tech Startups 104 4.2.1 Balancing Ambition with Reality 104 4.2.2 Hard Tech Sure Is Not Software 104 4.2.3 Hard Tech Investors Are a Skeptical Bunch 105 4.2.4 What Do You Mean I Will Not Exit for $1B? 105 4.2.5 Hard Tech Fundraising Dissonance 106 4.3 Fundraising the Right Way 108 4.3.1 What Kind of Investors Should You Raise from? 108 4.3.1.1 Friends and Family 109 4.3.1.2 Angels 109 4.3.1.3 Early-Stage Institutional Venture Capitalists 110 4.3.1.4 Late-Stage Institutional Venture Capitalists 110 4.3.1.5 Corporate Venture Capital 111 4.3.2 Venture Capital Uncovered 112 4.3.2.1 Fund Life 112 4.3.2.2 Return the Fund 112 4.3.2.3 The Mythical 10× and Why It Is Important to You 113 4.3.3 How to Generate Interest from Investors? 114 4.3.3.1 Team 115 4.3.3.2 Differentiated Technology and Customer Value Proposition 115 4.3.3.3 Large Target Market 115 4.3.3.4 Compelling Plan to Build a Business 116 4.4 The Case for Early-Stage Business Development 119 4.4.1.1 Playbook for Early-Stage Business Development 121 4.4.1.2 Getting Started 121 4.4.1.3 Getting to the Finish Line 122 4.4.1.4 Avoiding Common Pitfalls 123 4.5 Summary 125 Suggested Reading 128 Author Biographies 128 5 Battery Entrepreneurship: Gameboard from Lab to Market 129 Elena V. Timofeeva, John P. Katsoudas, Carlo U. Segre, Alex Duchak, and Thomas Day 5.1 Introduction 129 5.2 Finding a Market Fit for Your Technology 131 5.3 Energy Storage Markets 133 5.3.1 Portable Electronics, Drones, and Medical Devices 134 5.3.2 Grid Energy Storage and Renewable Energy 134 5.3.3 Industrial Batteries and Back-up Power 136 5.3.4 Home Energy Storage 136 5.3.5 Electric Vehicles 137 5.3.5.1 Passenger Cars 137 5.3.5.2 Light Electric Utility Vehicles 137 5.3.5.3 Heavy-duty Utility Vehicles, Trucks, and Buses 138 5.3.6 Other Nascent Energy Storage Markets 138 5.3.7 Airplanes 138 5.3.8 Ships and Boats 139 5.4 Battery Startup Case Studies 139 5.4.1 Boston Power 140 5.4.2 A123 Systems 141 5.4.3 Aquion Energy 143 5.4.4 Tesla 144 5.4.5 Fluidic Energy 145 5.4.6 Envia Systems 146 5.4.7 Alevo 147 5.4.8 SiNode/Nanograf 148 5.4.9 Sakti3 149 5.4.10 Cadenza Innovation 150 5.4.11 24M Technologies 151 5.5 Lessons Learned from the Case Studies 152 5.5.1 Market Challenges 152 5.5.2 Technical Challenges 153 5.5.3 Financial Challenges 154 5.5.4 Team Challenges 154 5.6 Strategies for Startups and Academic Inventors 154 5.6.1 Funding Strategy 155 5.6.2 Strategic Partnerships 158 5.6.3 Intellectual Property (IP) Management Strategy 159 5.6.4 Technology Licensing 162 5.6.5 Press Relations (PR) and Marketing Strategies 162 5.7 Summary 163 Further Reading 165 Author Biographies 165 6 Growing a Business in the Chemical Industry 169 Michael Lefenfeld 6.1 Introduction 169 6.2 Strategic Market Segmentation 172 6.2.1 Do I Have a Solution to an Existing Problem or a Solution Looking for a Problem? 173 6.2.2 A Solution Looking for a Problem 174 6.2.3 A Problem Looking for a Solution 175 6.2.4 The Opportunity Matrix: A Roadmap for Scaling a Chemical Business 177 6.2.5 Find the Right Niche 180 6.2.6 Sometimes a Pivot Strategy Can Work 182 6.2.7 Select the Best Path to Market 183 6.2.8 Licensing vs. Manufacturing 184 6.2.9 Strategic Market Assessment 186 6.3 Building Economies of Scale 189 6.3.1 Gaining Customer Traction 190 6.3.2 Customer Testimonials 191 6.3.3 Pricing Models 191 6.3.4 Market Entry and Initial Sales 192 6.3.5 Focus on Measured Growth 193 6.3.6 Direct Sales vs. Distributors 193 6.3.7 Testing and Pivoting 194 6.4 Growing to Commercial Scale 196 6.4.1 Best Practices 196 6.4.2 Financing 197 6.4.3 Growth Constraints 199 6.4.4 Primary and Secondary Markets 199 6.4.5 Insource vs. Outsource 200 6.4.6 Growing Too Fast 201 6.4.7 Hidden Landmines 203 6.4.8 Overcoming Competitive Threats 203 6.4.9 Case Study 205 6.4.9.1 ActiveEOR for the CHOPS Oil Sector 205 6.4.9.2 New Market Strategy 206 6.4.9.3 Introducing a New Chemical to the Oil Market 206 6.4.9.4 Proof of Concept 207 6.5 Summary 208 Suggested Reading 211 Author Biography 211 7 New Models to Foster Big Pharma and Chemistry Entrepreneurship 213 Antonio Gómez 7.1 Introduction 213 7.2 Setting the Stage 214 7.3 Big Pharma and the Open Innovation Model 216 7.3.1 Universities/Research Institutions 218 7.3.2 Biotech Companies 219 7.3.3 Venture Capital 219 7.3.4 Patient Associations and Charities 220 7.3.5 Public Administrations 221 7.3.6 Contract Research Organizations (CROs) 221 7.4 Considerations for Would-Be Entrepreneurs 222 7.4.1 General Reflections on Collaborations with Big Pharma (the How) 222 7.4.2 Areas of Collaboration Between Chemical Companies and Big Pharma (the What) 225 7.4.2.1 Compound Providers: Custom Synthesis 225 7.4.2.2 Medicinal Chemistry-Based Biotechs 228 7.4.2.3 Cheminformatics-Based Startups 228 7.4.2.4 Getting Information from X-ray Diffraction Studies 229 7.4.2.5 Other Areas 230 7.4.3 Getting in Touch (the Where) 231 7.5 Novel Business Models 232 7.6 Case Study: JJI and the I2D2 Initiative 235 7.7 Summary 237 Author Biography 240 8 The Economic Need for Chemically Based Start-Up Companies 241 Daniel Daly 8.1 Introduction 241 8.2 Promising Programs 244 8.2.1 NSF’s I-Corps (Innovation Corps) Program 244 8.2.2 I-Corps Teams or National Cohorts 246 8.2.3 I-Corps Sites 249 8.2.4 I-Corps Nodes 249 8.2.5 Case Study 249 8.2.6 Non-dilutive Funding Opportunities 250 8.2.7 Angel Funding: Dilutive Funding 252 8.2.8 Accelerators 252 8.3 Other Potential Programs 253 8.3.1 Case Studies 256 8.3.1.1 Evotec 256 8.3.1.2 CatSci 256 8.3.2 Agile Innovation Teams 257 8.3.3 Case Studies 257 8.3.3.1 525 Solutions, Inc. 257 8.3.3.2 ThruPore Technologies 259 8.4 Summary 260 Recommended Reading 262 Author Biography 262 Index 263

Read more less

Book SynopsisNonlinear Optics on Ferroic Materials Covering the fruitful combination of nonlinear optics and ferroic materials! The use of nonlinear optics for the study of ferroics, that is, magnetically, electrically or otherwise spontaneously ordered and switchable materials has witnessed a remarkable development since its inception with the invention of the laser in the 1960s. This book on Nonlinear Optics on Ferroic Materials reviews and advances an overarching concept of ferroic order and its exploration by nonlinear-optical methods. In doing so, it brings together three fields of physics: symmetry, ferroic order, and nonlinear laser spectroscopy. It begins by introducing the fundamentals for each of these fields. The book then discusses how nonlinear optical studies help to reveal properties of ferroic materials that are often inaccessible with other methods. In this, consequent use is made of the unique degrees of freedom inherent to optical experiments. An excursion into the theoretical foundations of nonlinear optical processes in ferroics rounds off the discussion. The final part of the book explores classes of ferroic materials of primary interest. In particular, this covers multiferroics with magnetoelectric correlations and oxide-electronic heterostructures. An outlook towards materials exhibiting novel forms of ferroic states or correlated arrangements beyond ferroic order and the study these systems by nonlinear optics concludes the work. The book is aimed equally at experienced scientists and young researchers at the interface between condensed-matter physics and optics and with a taste for bold, innovative ideas.Table of ContentsPreface xiii Acknowledgements xv 1 A Preview of the Subject of the Book 1 1.1 Symmetry Considerations 1 1.2 Ferroic Materials 3 1.3 Laser Optics 6 1.4 Creating the Trinity 8 1.5 Structure of this Book 10 Part I The Ingredients and Their Combination 11 2 Symmetry 13 2.1 Describing Interactions in Condensed-Matter Systems 13 2.2 Introduction to Practical Group Theory 15 2.3 Crystals 16 2.3.1 Types of Symmetry Operations 17 2.3.2 Combinations of Operations 20 2.3.3 Nomenclature 20 2.4 Point Groups and Space Groups 21 2.4.1 Point Groups 21 2.4.2 Space Groups 24 2.5 From Symmetries to Properties 25 2.5.1 Deriving the Components of the Property Tensors 25 2.5.2 Parity of the Property Tensors 25 2.5.3 Introducing Inhomogeneity 26 2.5.4 Beyond Group Theory: Particularisation 28 3 Ferroic Materials 31 3.1 Ferroic Phase Transitions 32 3.1.1 Landau-Theoretical Description and Order Parameter 33 3.1.2 First- and Second-Order Phase Transitions 34 3.1.3 Critical Exponents 36 3.1.4 Domain States and Domains 37 3.1.5 Softness 39 3.2 Ferroic States 41 3.2.1 Conjugate Field and Switchability 41 3.2.2 Hysteresis 42 3.2.3 Curie Temperature 42 3.3 Antiferroic States 43 3.4 Classification of Ferroics 44 3.4.1 Ferromagnetism 46 3.4.2 Ferroelectricity 56 3.4.3 Ferroelasticity 64 3.4.4 Ferrotoroidicity 68 3.4.5 Other Forms of Primary Ferroic Order 76 3.4.6 Higher-Order Ferroics 78 3.4.7 Multiferroics 81 4 Nonlinear Optics 91 4.1 Interaction of Materials with the Electromagnetic Radiation Field 93 4.1.1 Hamilton Operator 93 4.1.2 Multipole Expansion 95 4.2 Wave Equation in Nonlinear Optics 97 4.2.1 Derivation of the Wave Equation with an Extended Source Term 98 4.2.2 General Solution of the Wave Equation 99 4.2.3 Four Solutions of Particular Interest 101 4.3 Microscopic Sources of Nonlinear Optical Effects 103 4.4 Important Nonlinear Optical Processes 107 4.4.1 Two-Photon Sum Frequency Generation 108 4.4.2 Second Harmonic Generation 108 4.4.3 Two-Photon Difference Frequency Generation 109 4.4.4 Optical Parametric Generation 109 4.4.5 Third Harmonic Generation 109 4.5 Nonlinear Spectroscopy of Electronic States 110 4.5.1 Transition Matrix Elements 110 4.5.2 Resonance Behaviour at the Contributing Frequencies 110 4.5.3 Local-Field Corrections 110 4.5.4 Linear Optical Properties at the Contributing Frequencies 111 4.5.5 Phase Matching 111 5 Experimental Aspects 113 5.1 Laser Sources 113 5.1.1 Nanosecond Laser Systems with Optical Parametric Oscillator 114 5.1.2 Femtosecond Laser Systems with Optical Parametric Amplifier 115 5.2 Experimental Set-Ups 116 5.2.1 Spectral Resolution 117 5.2.2 Imaging by Projection 127 5.2.3 Imaging by Scanning 133 5.3 Temporal Resolution 134 6 Nonlinear Optics on Ferroics – An Instructive Example 137 6.1 SHG Contributions from Antiferromagnetic Cr 2 O 3 140 6.2 SHG Spectroscopy 146 6.3 Topography on Antiferromagnetic Domains 149 6.4 Magnetic Structure in the Spin-Flop Phase 152 Part II Novel Functionalities 155 7 The Unique Degrees of Freedom of Optical Experiments 157 7.1 Polarisation-Dependent Spectroscopy 158 7.1.1 Basic Methodical Aspects 158 7.1.2 Resonance Enhancement of Signals 159 7.1.3 Sublattice Selectivity 162 7.1.4 Separation of Coexisting Types of Order 164 7.1.5 Spectral Identification of Symmetries 166 7.2 Spatial Resolution – Domains 167 7.2.1 Access to Hidden Domain States 168 7.2.2 Domain Microscopy at Different Resolution 171 7.2.3 Domain Topography Below the Optical Resolution Limit 173 7.2.4 Domain Topography in Three Dimensions 178 7.3 Temporal Resolution – Correlation Dynamics 181 7.3.1 Overview 181 7.3.2 Dynamical Properties of Ferromagnetic Systems 186 7.3.3 Dynamical Processes in Antiferromagnetic Systems 190 7.3.4 Nonlinear Effects in the Few-Terahertz Range 196 8 Theoretical Aspects 201 8.1 Microscopic Sources of SHG in Ferromagnetic Metals 202 8.2 Microscopic Sources of SHG in Antiferromagnetic Insulators 203 8.2.1 Chromium Sesquioxide 203 8.2.2 Hexagonal Manganites 207 8.2.3 Nickel Oxide 210 Part III Materials and Applications 211 9 SHG and Multiferroics with Magnetoelectric Correlations 213 9.1 Type-I Multiferroics – The Hexagonal Manganites 214 9.1.1 Synthesis and Crystal Structure 214 9.1.2 Lattice Trimerisation 215 9.1.3 Antiferromagnetic Order of the Mn 3+ Lattice 231 9.1.4 Magnetic Order of the Rare-Earth System 243 9.1.5 Magnetic Sublattice Interactions 247 9.1.6 Magnetoelectric Sublattice Interactions 250 9.1.7 Dynamic Correlations 259 9.2 Type-I Multiferroics – BiFeO 3 262 9.2.1 Synthesis and Crystal Structure 262 9.2.2 Ferroelectric Order 264 9.2.3 Antiferromagnetic Order 264 9.2.4 Magnetoelectric Coupling Effects 266 9.3 Type-I Multiferroics with Strain-Induced Ferroelectricity 275 9.4 Type-II Multiferroics – MnWO 4 278 9.4.1 Synthesis and Crystal Structure 278 9.4.2 Multiferroic Order 279 9.4.3 SHG Contributions – Incommensurate SHG 280 9.4.4 Types of Domains 284 9.4.5 Poling Dynamics 287 9.4.6 Multiferroic Domain Walls 289 9.5 Type-II Multiferroics – TbMn 2 O 5 291 9.5.1 Synthesis, Crystal Structure, and Magnetic Order 291 9.5.2 Decomposition of Contributions to the Spontaneous Polarisation 292 9.6 Type-II Multiferroics – TbMnO 3 295 9.6.1 Synthesis, Crystal Structure, and Magnetic Order 295 9.6.2 Domains and Poling 295 9.6.3 Optical Domain Switching 297 9.6.4 Robustness of the Multiferroic State 302 9.7 Type-II Multiferroics with Higher-Order Domain Functionalities 304 9.7.1 Magnetoelectric Inversion of a Domain Pattern 305 9.7.2 Magnetoelectric ‘Teleportation’ of a Domain Pattern 309 10 SHG and Materials with Novel Types of Primary Ferroic Orders 313 10.1 Ferrotoroidics 314 10.1.1 Ferrotoroidic LiCoPO 4 314 10.1.2 Ferrotoroidics Other than LiCoPO 4 320 10.1.3 Status of Ferrotoroidicity as Primary Ferroic Order 324 10.2 Ferro-Axial Order – RbFe(MoO 4) 2 325 10.2.1 Structure and Phase Transitions 325 10.2.2 Ferroic Nature of the Rotational Transition 326 11 SHG and Oxide Electronics – Thin Films and Heterostructures 329 11.1 Growth Techniques 330 11.1.1 Pulsed-Laser Deposition 331 11.1.2 Molecular Beam Epitaxy 332 11.1.3 Sputter Deposition 332 11.1.4 Metal-Organic Chemical Vapour Deposition 333 11.2 Thin Epitaxial Oxide Films with Magnetic Order 334 11.2.1 Ferrimagnetic Garnets 334 11.2.2 Ferromagnetic Metals 334 11.2.3 EuO – A Ferromagnetic Insulator 336 11.3 Thin Epitaxial Oxide Films with Ferroelectric Order 341 11.3.1 Crystal Structure and Domain Configurations: BiFeO 3 342 11.3.2 From Domains to Domain Walls: SrMnO 3 345 11.3.3 Internal Structure of Domain Walls: Pbzr X Ti 1−x O 3 347 11.3.4 From Domain Walls to Interfaces: LaAlO 3 on SrTiO 3 350 11.4 Poling Dynamics in Ferroelectric Thin Films 357 11.5 Growth Dynamics in Oxide Electronics by In Situ SHG Probing 361 11.5.1 Early ISHG Experiments 362 11.5.2 Experimental Set-Up for ISHG 363 11.5.3 Emergence of Ferroelectric Order in a Single Film 365 11.5.4 From Single Films to Multi-Layer Heterostructure 367 11.5.5 From Multi-Layer Heterostructures to Symmetry Engineering 368 11.5.6 Growth Dynamics – Interaction Between Materials 370 11.5.7 Growth Dynamics – Interaction Between Interfaces 372 12 Nonlinear Optics on Ordered States Beyond Ferroics 375 12.1 Superconductors 375 12.2 Metamaterials – Photonic Crystals 379 12.2.1 Optical Properties 380 12.2.2 Ferroic Properties 380 12.2.3 Quasicrystalline Metamaterials 382 12.3 Topological Insulators 384 Part IV Epilogue 387 13 A Retrospect of the Subject of the Book 389 References 393 Index 443

Read more less

Book SynopsisA practical guide to ICP emission spectrometry, updated with information on the latest developments and applications The revised and updated third edition of ICP Emission Spectrometry contains all the essential information needed for successful ICP OES analyses. In addition, the third edition reflects the most recent developments and applications in the field. Filled with illustrative examples and written in a user-friendly style, the book contains material on the instrumentation instructions on how to develop effective methods. Throughout the text, the author—a noted expert on the topic—incorporates typical questions and problems and provides checklists and detailed instructions for implementation. The third edition includes 10 new chapters that cover recent progress in both the application and methodology of the technology. New information on plasma, the optics, and the detector of the spectrometer is also highlighted. This revised third edition: Contains fresh chapters on the newest developments Presents several new chapters on plasma as well as the optics and the detector of the spectrometer Offers a helpful troubleshooting guide as well as examples of practical applications Includes myriad illustrative examples Written for lab technicians, students, environmental chemists, water chemists, soil chemists, soil scientists, geochemists, and materials scientists, ICP Emission Spectrometry, Third Edition continues to offer the basics for successful ICP OES analyses and has been updated with the latest developments and applications. Table of ContentsForeword ix Preface xi 1 An Overview 1 1.1 Features of ICP-OES 1 1.2 Inductively Coupled Plasma Optical Emission Spectrometry – the Name Describes the Technique 2 1.3 Distribution of ICP-OES 4 1.4 Related Techniques for Elemental Analysis 4 1.5 Terms 8 2 Plasma 9 2.1 The Spectrometric Plasma 9 2.1.1 The Operating Gas 10 2.1.1.1 Argon 10 2.1.1.2 Addition of Air or Oxygen 11 2.1.2 Plasma Torch 12 2.1.3 Ignition of the Plasma 15 2.1.4 Orientation of the Plasma with Respect to the Torch 15 2.2 Excitation to Emit Electromagnetic Radiation (Light) 16 2.2.1 Emission Lines 16 2.2.2 Energy and Temperature 19 2.2.3 Spectroscopic Properties of the ICP 22 2.2.4 Plasma Viewing 28 2.2.4.1 Radial Viewing 29 2.2.4.2 Axial Viewing 30 2.2.4.3 Radial and Axial Viewing in One Instrument (“Dual View”) 31 2.3 Excitation Unit 35 2.3.1 Radio Frequency Generator 35 2.3.2 Induction Coil 38 2.4 Sample Introduction System 38 2.4.1 Nebulizer 40 2.4.1.1 Pneumatic Nebulizers 41 2.4.1.2 High-Pressure Nebulizer 45 2.4.1.3 Ultrasonic Nebulizer 46 2.4.2 Nebulizer Chamber 48 2.4.2.1 Tasks of the Nebulizer Chamber 48 2.4.2.2 Temperature of the Nebulizer Chamber 49 2.4.2.3 Materials and Surface Properties 52 2.4.2.4 Common Types of Nebulizer Chambers 54 2.4.2.5 Waste from the Nebulizer Chamber 55 2.4.3 Pump 56 2.4.4 Other Forms of Sample Introduction 59 2.4.4.1 Special Techniques for Liquid Samples 60 2.4.4.2 Gaseous Samples 60 2.4.4.3 Solid Sampling 63 3 Optics and Detector of the Spectrometer 67 3.1 Basic Principles of Optics 67 3.1.1 Resolution 67 3.1.2 Relevant Optical Terms 72 3.1.3 Optical Mounts 76 3.1.3.1 Paschen–Runge Mount 76 3.1.3.2 Czerny–TurnerMount 76 3.1.3.3 Echelle Mount 78 3.1.3.4 Littrow Mount 80 3.1.4 Light Transfer from the Plasma to the Optics 80 3.1.4.1 Separation of Plasma Compartment and Optics 80 3.1.4.2 Transparency of the Optics in the Vacuum-UV Range 82 3.2 Detectors 85 3.2.1 Photomultiplier Tube (PMT) 86 3.2.2 Solid-State Detectors 87 3.3 Types of Emission Spectrometer Mounts 95 3.3.1 Classical Spectrometers 96 3.3.1.1 Monochromators 96 3.3.1.2 Polychromators 96 3.3.2 Array Spectrometers 97 3.3.2.1 Scanning Array Spectrometers 97 3.3.2.2 Simultaneous Array Spectrometers 97 4 Method Development 99 4.1 Wavelength Selection 101 4.1.1 Working Range 101 4.1.1.1 Background Equivalent Concentration (BEC) 102 4.1.2 Freedom from Spectral Interference 103 4.1.2.1 Generation of Spectra for the Estimation of the Background 107 4.1.2.2 Generation of Spectra for Detecting Interfering Lines from the Matrix 111 4.1.2.3 Evaluating Spectra 114 4.2 Processing and Correction Techniques 117 4.2.1 Signal Processing 117 4.2.1.1 Calculation of the Peak Height 117 4.2.1.2 Calculation of the Peak Area or of the Partial Peak Area 119 4.2.1.3 Calibration of the Peak Position 122 4.2.2 Background Correction 123 4.2.2.1 Calculation of the Background Correction 126 4.2.2.2 Number the Background Correction Points 128 4.2.3 Impact of Peak Processing and Background Correction on Detection Limits 132 4.2.4 Correction of Spectral Interference 137 4.2.4.1 Inter-element Correction 137 4.2.4.2 Correction Using Multivariate Regression 138 4.2.4.3 Multivariate Regression and Inter-element Correction 147 4.3 Non-spectral Interference 147 4.3.1 Correction of Non-spectral Interference 148 4.3.1.1 Matrix Matching 148 4.3.1.2 Internal Standard 149 4.3.1.3 Calibration with Analyte Addition (Standard Addition) 151 4.3.1.4 Further Measures to Compensate for Non-spectral Interference 153 4.4 Optimization 153 4.4.1 Optimization Goals 154 4.4.2 Optimization Parameters 155 4.4.3 Optimization Algorithms 155 4.5 Validation 157 4.5.1 Accuracy and Specificity 157 4.5.2 Reproducibility 159 4.5.3 Limit of Detection 160 4.5.4 Working Range 164 4.5.5 Robustness 166 5 Routine Analysis 169 5.1 Preparation 169 5.1.1 Sample Preparation 169 5.1.2 Warm-up Time 170 5.1.3 Delay and Rinse Times 171 5.2 Calibration 173 5.2.1 Calibration Solutions 173 5.2.1.1 Number of Calibration Solutions 173 5.2.1.2 Concentrations in Calibration Solutions 174 5.2.1.3 Multielement Calibration Solutions 176 5.2.1.4 Multi-bottle Calibration 176 5.2.1.5 Stability of Calibration Solutions 177 5.2.2 Calibration Functions 177 5.2.2.1 External Calibration 178 5.2.2.2 Calibration by Analyte Addition (Standard Addition) 179 5.2.2.3 Bracketing Calibration 179 5.2.3 Examination of the Calibration Data 181 5.3 Quality Assurance 182 5.4 Software and Data Processing 184 6 Troubleshooting and Maintenance 187 7 Applications 197 7.1 General Notes 197 7.1.1 Material of Containers 197 7.1.2 Stability of Solutions 197 7.1.3 Matrix Effects 198 7.1.4 Contaminations 198 7.2 Comments on Selected Elements 198 7.3 Selected Applications 200 7.3.1 Environment 201 7.3.1.1 Drinking, Ground, and SurfaceWater 202 7.3.1.2 Wastewater, Leachates 202 7.3.1.3 Sludges 204 7.3.1.4 Soil Samples, Sediments 204 7.3.1.5 Airborne Particles, Fly Ashes 205 7.3.2 Samples of Biological Origin 206 7.3.2.1 Plant and Animal Samples 206 7.3.2.2 Clinical and Forensic Materials 207 7.3.2.3 Food and Animal Feeds 208 7.3.3 Geological Materials 208 7.3.4 Metallurgy 210 7.3.4.1 Steel and Iron Matrices 210 7.3.4.2 Nonferrous Metals 212 7.3.4.3 Noble Metals 212 7.3.4.4 Special Alloys 212 7.3.5 Material Sciences 213 7.3.5.1 Semiconductors 213 7.3.5.2 Ceramics 215 7.3.6 Industrial Applications 215 7.3.6.1 Industrial Chemicals and Fertilizers 215 7.3.6.2 Galvanizing/Electroplating Baths 216 7.3.6.3 Brines and Salts 216 7.3.6.4 Cement, Gypsum, Calcium Matrix 216 7.3.6.5 Glass 217 7.3.6.6 Other Industrial Applications 218 7.3.7 Organic Solvents 218 7.3.7.1 Wear Metals and Contamination in Oil 221 7.3.7.2 Additives 223 7.3.7.3 Tar 223 7.3.7.4 Edible Oils 223 8 Procurement of Equipment and Preparation of the Laboratory 225 8.1 Which Atomic Spectrometric Technique is the Most Suitable? 225 8.2 Which ICP Emission Spectrometer is the Most Suitable? 227 8.3 Preparation of the Laboratory 230 References 233 Index 269

Read more less

Book SynopsisPresents an up-to-date overview of the rapidly growing field of carbene transformations Carbene transformations have had an enormous impact on catalysis and organometallic chemistry. With the growth of transition metal-catalyzed carbene transformations in recent decades, carbene transformations are today an important compound class in organic synthesis as well as in the pharmaceutical and agrochemical industries. Edited by leading experts in the field, Transition Metal-Catalyzed Carbene Transformations is a thorough summary of the most recent advances in the rapidly expanding research area. This authoritative volume covers different reaction types such as ring forming reactions and rearrangement reactions, details their conditions and properties, and provides readers with accurate information on a wide range of carbene reactions. Twelve in-depth chapters address topics including carbene C-H bond insertion in alkane functionalization, the application of engineered enzymes in asymmetric carbene transfer, progress in transition-metal-catalyzed cross-coupling using carbene precursors, and more. Throughout the text, the authors highlight novel catalytic systems, transformations, and applications of transition-metal-catalyzed carbene transfer. Highlights the dynamic nature of the field of transition-metal-catalyzed carbene transformations Summarizes the catalytic radical approach for selective carbene cyclopropanation, high enantioselectivity in X-H insertions, and bio-inspired carbene transformations Introduces chiral N,N'-dioxide and chiral guanidine-based catalysts and different transformations with gold catalysis Discusses approaches in cycloaddition reactions with metal carbenes and polymerization with carbene transformations Outlines multicomponent reactions through gem-difunctionalization and transition-metal-catalyzed cross-coupling using carbene precursors Transition Metal-Catalyzed Carbene Transformations is essential reading for all chemists involved in organometallics, including organic and inorganic chemists, catalytic chemists, and chemists working in industry.Table of ContentsPreface xiii 1 Alkane Functionalization by Metal-Catalyzed Carbene Insertion from Diazo Reagents 1 María Álvarez, Ana Caballero, and Pedro J. Pérez 1.1 Introduction 1 1.2 Chemo- and Regioselectivity 3 1.2.1 Definitions 3 1.2.2 Catalysts 5 1.2.3 Chemoselectivity 6 1.2.4 Regioselectivity 8 1.3 Enantioselectivity 9 1.4 Methane and Gaseous Alkanes as Substrates 14 1.5 Alkane Nucleophilicity Scale 18 1.6 Conclusions and Outlook 22 Acknowledgments 22 References 22 2 Catalytic Radical Approach for Selective Carbene Transfers via Cobalt(II)-Based Metalloradical Catalysis 25 Xiaoxu Wang and X. Peter Zhang 2.1 Introduction 25 2.2 Intermolecular Radical Cyclopropanation of Alkenes 26 2.2.1 Cyclopropanation with Acceptor-Substituted Diazo Compounds 27 2.2.2 Cyclopropanation with Acceptor/Acceptor-Substituted Diazo Compounds 32 2.2.3 Cyclopropanation with Donor-Substituted Diazo Compounds 37 2.3 Intramolecular Radical Cyclopropanation of Alkenes 39 2.4 Intermolecular Radical Cyclopropenation of Alkynes 43 2.5 Intramolecular Radical Alkylation of C(sp3)–H Bonds 44 2.5.1 Intramolecular C–H Alkylation with Acceptor/Acceptor-Substituted Diazo Compounds 45 2.5.2 Intramolecular C−H Alkylation with Donor-Substituted Diazo Compounds 46 2.6 Other Catalytic Radical Processes for Carbene Transfers 54 2.7 Summary and Outlook 59 Acknowledgment 60 References 60 3 Catalytic Enantioselective Carbene Insertions into Heteroatom–Hydrogen Bonds 67 Ming-Yao Huang, Shou-Fei Zhu, and Qi-Lin Zhou 3.1 Introduction 67 3.2 N—H Bond Insertion Reactions 67 3.2.1 Chiral Metal Catalysts 68 3.2.1.1 Chiral Cu Catalysts 68 3.2.1.2 Chiral Pd Catalysts 70 3.2.1.3 Other Chiral Metal Catalysts 70 3.2.1.4 Enzymes 72 3.2.1.5 Chiral Proton-Transfer Shuttle Catalysts 72 3.2.1.6 Chiral Phosphoric Acids as CPTS Catalysts 72 3.2.1.7 Chiral Amino Thioureas as CPTS Catalysts 73 3.3 O—H Bond Insertion Reactions 74 3.3.1 Chiral Metal Catalysts 74 3.3.1.1 Chiral Cu Catalysts 74 3.3.1.2 Chiral Fe Catalysts 76 3.3.1.3 Chiral Pd Catalysts 77 3.3.1.4 Chiral Au Catalysts 78 3.3.1.5 Chiral Bases as CPTS Catalysts 78 3.3.1.6 Chiral Phosphoric Acids as CPTS Catalysts 79 3.4 S—H Bond Insertion Reactions 80 3.4.1 Chiral Metal Catalysts 80 3.4.2 CPTS Catalysts 81 3.4.3 Enzymes 81 3.5 F—H Bond Insertion Reactions 82 3.6 Si—H Bond Insertion Reactions 83 3.6.1 Chiral Rh Catalysts 83 3.6.2 Chiral Cu Catalysts 85 3.6.3 Other Chiral Metal Catalysts 86 3.6.4 Enzymes 87 3.7 B—H Bond Insertion Reactions 88 3.7.1 Chiral Cu Catalysts 88 3.7.2 Chiral Rhodium Catalysts 89 3.7.3 Enzymes 89 3.8 Summary and Outlook 90 References 91 4 Engineering Enzymes for New-to-Nature Carbene Chemistry 95 Soumitra V. Athavale, Kai Chen, and Frances H. Arnold 4.1 Introduction: Biology Inspires Chemistry Inspires Biology 95 4.2 P411-Catalyzed Cyclopropanation 99 4.3 The Workflow of Directed Evolution 101 4.4 Expanding Cyclopropanation with Diverse Hemeprotein Carbene Transferases 102 4.5 C–H Functionalization with Carbene Transferases 109 4.6 Biocatalytic Carbene X–H Insertion 113 4.7 Carbene Transfer Reactions with Artificial Metalloproteins 118 4.8 Structural Studies of Carbene Intermediates in Heme Proteins 125 4.9 Summary 128 Acknowledgments 129 References 129 5 Metal Carbene Cycloaddition Reactions 139 Kostiantyn O. Marichev, Haifeng Zheng, and Michael P. Doyle 5.1 Introduction 139 5.2 [3+1]-Cycloaddition 142 5.3 [3+2]-Cycloaddition 145 5.3.1 [3+2]-Cycloaddition with Imines and Indoles 145 5.3.2 [3+2]-Cycloaddition with Polarized Alkenes 149 5.3.3 [3+2]-Cycloaddition with Nitrones 150 5.3.4 Divergent Behavior of Catalysts 151 5.4 [3+3]-Cycloaddition of Enoldiazo Compounds 152 5.4.1 [3+3]-Cycloaddition with Nitrones 152 5.4.2 [3+3]-Cycloaddition with Pyridinium Ylides and Hydrazones 155 5.4.3 Diastereoselective [3+3]-Cycloaddition with Achiral Catalysts 157 5.4.4 [3+3]-Cycloaddition with Diaziridines 158 5.4.5 [3+3]-Cycloaddition with Donor–Acceptor Cyclopropanes and Oxiranes 159 5.5 [3+4]-Cycloaddition 160 5.6 [3+5]-Cycloaddition 161 5.7 Summary 162 References 163 6 Metal-Catalyzed Decarbenations by Retro-Cyclopropanation 169 Mauro Mato and Antonio M. Echavarren 6.1 Introduction 169 6.2 Reactivity and Generation of Metal Carbenes 169 6.2.1 Decomposition of Diazo Compounds 170 6.2.2 Alternative Methods for the Generation of Metal Carbenes 170 6.2.3 Decarbenation Reactions: General Process and Definition 170 6.3 Retro-Cyclopropanation Reactions: A Historical Walkthrough 171 6.3.1 Early Observations 171 6.3.2 Decarbenation Reactions from Gas Phase to Solution 173 6.3.3 The Discovery of the Gold(I)-Catalyzed Retro-Buchner Reaction 173 6.4 Metal-Catalyzed Aromative-Decarbenation Reactions: A Mechanistic Analysis 175 6.4.1 Basic Mechanistic Picture 175 6.4.2 Alternative Generation of the Same Carbenes from Carbenoids 175 6.4.3 Theoretical Studies on the Mechanism of the Retro-Buchner Reaction 177 6.4.4 Second-Generation Cycloheptatrienes: Low Temperature and Other Metals 179 6.4.5 Mechanism of the Rh(II)-Catalyzed Aromative Decarbenation 181 6.5 Synthetic Methodologies and Applications 181 6.5.1 Cyclopropanation Reactions 181 6.5.1.1 Aryl Cyclopropanations 183 6.5.1.2 Alkenyl Cyclopropanations 184 6.5.1.3 Reactions with Furans 185 6.5.2 Higher Formal Cycloadditions 186 6.5.2.1 (4+1) Cycloadditions 187 6.5.2.2 (3+2) Cycloadditions 187 6.5.2.3 (4+3) Cycloadditions 189 6.5.3 Intramolecular Friedel–Crafts Reactivity 190 6.5.4 Insertion Reactions 190 6.5.4.1 C–H Insertion 190 6.5.4.2 Si–H Insertion 192 6.5.5 Oxidation Reactions 192 6.5.6 Alternative Precursors 193 6.5.7 Decarbenations Based on the Release of Alkenes 193 6.6 General Outlook and Concluding Remarks 195 References 196 7 Gold-Catalyzed Oxidation of Alkynes by N-Oxides or Sulfoxides 199 Kaylaa Gutman, Tianyou Li, and Liming Zhang 7.1 Introduction: Gold-Activated Alkynes Attacked by Nucleophilic Oxidants 199 7.2 Sulfoxides as Nucleophilic Oxidants 201 7.3 N-Oxides as Nucleophilic Oxidants 202 7.3.1 Reactions of Carbene/Carbenoid Intermediates with Oxygen-Based Nucleophiles 205 7.3.2 Reactions of Carbene/Carbenoid Intermediates with Nitrogen-Based Nucleophiles 212 7.3.3 Reactions of Carbene/Carbenoid Intermediates with Other Heteronucleophiles 214 7.3.4 Friedel–Crafts Reactions of Carbene/Carbenoid Intermediates with Arenes 215 7.3.5 Reactions of Carbene/Carbenoid Intermediates with Alkenes 218 7.3.6 Reactions of Carbene/Carbenoid Intermediates with C—C Triple Bonds 224 7.3.7 1,2-C–C and 1,2-C–H Insertions of Carbene/Carbenoid Intermediates 226 7.3.8 Remote C(sp3)–H Functionalizations by Carbene/Carbenoid Intermediates 231 7.4 Conclusion 238 References 238 8 Transition-Metal-Catalyzed Carbene Transformations for Polymer Syntheses 243 Eiji Ihara and Hiroaki Shimomoto 8.1 Introduction 243 8.2 Transition-Metal-Catalyzed C1 Polymerization of Diazoacetates 243 8.2.1 PdCl2 -Initiated Polymerization 244 8.2.2 (NHC)Pd(nq)/Borate-Initiated Polymerization 245 8.2.3 π-AllylPdCl-Based System-Initiated Polymerization 246 8.2.4 (nq)2 Pd/Borate- and (cod)PdCl(Cl-nq)/Borate-Initiated Polymerization 251 8.2.5 Preparation of Polymers with Densely Packed Functional Groups Around Polymer Main Chain 254 8.2.5.1 Hydroxy Group-Containing Polymers 254 8.2.5.2 Oligo(oxyethylene)-Containing Polymers 256 8.2.5.3 Pyrene-Containing Polymers 257 8.2.5.4 Fluoroalkyl and Fluoroaryl Group-Containing Polymers 258 8.3 Polycondensation of Bis(diazocarbonyl) Compounds 259 8.3.1 Three-Component Polycondensation of Bis(diazocarbonyl) Compound, Diol, and THF 259 8.3.2 Three-Component Polycondensation of Bis(diazocarbonyl) Compound, Dicarboxylic Acid, and THF 262 8.3.3 Three-Component Polycondensation of Bis(diazocarbonyl) Compound, Enol-form of 1,3-Diketone, and THF 263 8.3.4 Two-Component Polycondensation of Bis(diazocarbonyl) Compound with Aromatic Diamine 264 8.3.5 Single-Component Polycondensation of Bis(diazocarbonyl) Compound to Afford Unsaturated Polyesters 264 8.3.6 Single-Component Polycondensation of Bis(diazocarbonyl) Compound to Afford Poly(arylene vinylene)s (PAV) 265 8.4 Concluding Remarks 266 References 266 9 Metal-Catalyzed Quinoid Carbene (QC) Transfer Reactions 269 Hai-Xu Wang, Vanessa K.-Y. Lo, and Chi-Ming Che 9.1 Introduction 269 9.2 Metal–Quinoid Carbene (QC) Complexes and Stoichiometric Reactivity 269 9.3 Metal-Catalyzed QC Transfer Reactions 273 9.3.1 Cyclopropanation Reactions 273 9.3.2 C(sp2)–H Insertion Reactions 275 9.3.3 C(sp3)–H Insertion Reactions 284 9.3.4 Nucleophilic Addition and Miscellaneous Reactions 286 9.4 Conclusion 293 Acknowledgment 295 References 295 10 Asymmetric Rearrangement and Insertion Reactions with Metal–Carbenoids Promoted by Chiral N,N ′ -Dioxide or Guanidine-Based Catalysts 299 Xiaobin Lin, Xiaohua Liu, and Xiaoming Feng 10.1 Introduction 299 10.2 The Introduction of Chiral N,N′ -Dioxide/Metal Complexes and Guanidine Catalysts 299 10.3 Chiral N,N′ -Dioxide/Metal Complexes-Catalyzed Rearrangement Reactions 302 10.4 Chiral Guanidine-Based Catalyst-Mediated Asymmetric Carbene Insertion Reactions 315 10.5 Conclusion and Outlook 323 References 323 11 Multi-Component Reaction via gem-Difunctionalization of Metal Carbene 325 Mengchu Zhang, Xinfang Xu, and Wenhao Hu 11.1 Introduction 325 11.2 Mannich-Type Interception 327 11.2.1 Interception of Ammonium Ylide 327 11.2.2 Interception of Oxonium Ylide 328 11.2.3 Interception of Zwitterionic Intermediate 339 11.3 Aldol-Type Interception 340 11.3.1 Interception of Ammonium Ylide 340 11.3.2 Interception of Oxonium Ylide 342 11.3.3 Interception of Zwitterionic Intermediate 343 11.4 Michael-Type Interception 345 11.4.1 Interception of Ammonium Ylide 345 11.4.2 Interception of Oxonium Ylide 346 11.4.3 Interception of Zwitterionic Intermediate 348 11.5 Miscellaneous Transformations 349 11.5.1 Interception Other Types of Active Intermediates 349 11.5.2 Interception of Active Intermediates with Other Electrophiles 353 11.5.3 Applications in Cascade Reactions 355 11.6 Synthetic Applications 358 11.6.1 Synthesis and Modification of Natural Products 358 11.6.2 Synthesis of Bioactive Molecules 362 11.7 Conclusion 364 References 365 12 Transition-Metal-Catalyzed Cross-Coupling with Carbene Precursors 371 Kang Wang and Jianbo Wang 12.1 Introduction 371 12.2 Palladium-Catalyzed Carbene Cross-Coupling Reactions 372 12.2.1 Diazo Compounds as Carbene Precursors 372 12.2.1.1 Reactions with Electrophiles 372 12.2.1.2 Reactions with Nucleophiles 373 12.2.1.3 Palladium-Catalyzed Cascade Cross-Coupling Reactions 374 12.2.2 N-Tosylhydrazones as Carbene Precursors 377 12.2.2.1 Reactions with Electrophiles 377 12.2.2.2 Reactions with Nucleophiles 379 12.2.2.3 Palladium-Catalyzed Cascade Cross-Coupling Reactions 380 12.2.3 Non-Diazo Compounds as Carbene Precursors 382 12.3 Copper-Catalyzed Carbene Cross-Coupling Reactions 385 12.3.1 Reactions with Terminal Alkynes 385 12.3.1.1 Multi-substituted Allenes as the Coupling Products 385 12.3.1.2 Internal Alkynes as the Coupling Products 386 12.3.2 Reactions with Other Coupling Partners 387 12.4 Rhodium-Catalyzed Carbene Cross-Coupling Reactions 388 12.4.1 Generating Organorhodium Species Through Transmetalation 388 12.4.2 Generating Organorhodium Species Through C—C Bond Cleavage 389 12.5 Transition-Metal-Catalyzed C—H Bond Functionalizations with Carbene Precursors 391 12.5.1 Non-Directing-Group-Assisted C—H Functionalizations 391 12.5.2 Directing-Group-Assisted C—H Bond Functionalizations 393 12.5.2.1 Generating Acyclic Products Through C—H Bond Activation 393 12.5.2.2 Generating Cyclic Products Through C—H Bond Activation 394 12.6 Conclusion Remarks 396 Acknowledgment 397 References 397 Index 401

Read more less

Book SynopsisHalide Perovskite Semiconductors Enables readers to acquire a systematic and in-depth understanding of various fundamental aspects of halide perovskite semiconductors Halide Perovskite Semiconductors: Structures, Characterization, Properties, and Phenomena covers the most fundamental topics with regards to halide perovskites, including but not limited to crystal/defect theory, crystal chemistry, heterogeneity, grain boundaries, single-crystals/thin-films/nanocrystals synthesis, photophysics, solid-state ionics, spin physics, chemical (in)stability, carrier dynamics, hot carriers, surface and interfaces, lower-dimensional structures, and structural/functional characterizations. Included discussions on the fundamentals of halide perovskites aim to expand the basic science fields of physics, chemistry, and materials science. Edited by two highly qualified researchers, Halide Perovskite Semiconductors includes specific information on: Crystal/defect theory of halide perovskites, crystal chemistry of halide perovskites, and processing and microstructures of halide perovskites Single-crystals of halide perovskites, nanocrystals of halide perovskites, low-dimensional perovskite crystals, and nanoscale heterogeneity of halide perovskites Carrier mobilities and dynamics in halide perovskites, light emission of halide perovskites, photophysics and ultrafast spectroscopy of halide perovskites Hot carriers in halide perovskites, correlating photophysics with microstructures in halide perovskites, chemical stability of halide perovskites, and solid-state ionics of halide perovskites Readers can find solutions to technological issues and challenges based on the fundamental knowledge gained from this book. As such, Halide Perovskite Semiconductors is an essential in-depth treatment of the subject, ideal for solid-state chemists, materials scientists, physical chemists, inorganic chemists, physicists, and semiconductor physicists.Table of ContentsPreface xv 1 Introduction to Perovskite 1Tianwei Duan, Iván Mora-Seró, and Yuanyuan Zhou 1.1 Evolution of Perovskite 1 1.2 Structure of Perovskite 2 1.3 Property and Application of Perovskite 4 1.4 Summary and Outlook 7 2 Halide Perovskite Single Crystals 9Clara Aranda-Alonso and Michael Saliba 2.1 Introduction 9 2.2 Crystal Structure 9 2.3 Synthesis Methods 14 2.4 Optoelectronic Properties of Halide Perovskite Single Crystals 21 2.5 Applications 29 3 Halide Perovskite Nanocrystals 49Samrat Das Adhikari, Andrés F. Gualdrón-Reyes, and Iván Mora-Seró 3.1 Introduction 49 3.2 Methodology 51 3.3 Quantum Confinement Effect 57 3.4 Solution-processed Halide Exchange 59 3.5 Post-synthesis Defect Recovery 61 3.6 Different Shapes of the Nanocrystals 62 3.7 Doping in Perovskite Nanocrystals 64 3.8 Lead-free Perovskite Nanocrystals 69 3.9 Summary 70 4 Dimensionality Modulation in Halide Perovskites 79Akriti, Jee Yung Park, Shuchen Zhang, and Letian Dou 4.1 Classification of Low-Dimensional Perovskites 79 4.2 Synthesis and Characterization of Morphological Low-Dimensional (ABX3) Halide Perovskites 80 4.3 Synthesis and Characterization of Molecular Low-Dimensional (Non-ABX3) Halide Perovskites 83 4.4 Applications of Low-Dimensional Halide Perovskites 101 4.5 Current Challenges and Prospects of Low-Dimensional Halide 5 Halide Double Perovskites 115Carina Pareja-Rivera, Dulce Zugasti-Fernández, Paul Olalde-Velasco, and Diego Solis-Ibarra 5.1 Definition and Structure 116 5.2 Properties 118 5.3 Applications in Solar Cells and LEDs 123 5.4 Other Applications 126 5.5 Related Materials: Layered Double Perovskites and Vacancy Ordered Double Perovskites 132 5.6 Conclusions 135 6 Tin Halide Perovskite Solar Cells 147Xianyuan Jiang, Zihao Zang, and Zhijun Ning 6.1 Introduction 147 6.2 Tin Perovskite Properties 148 6.3 Perovskite Composition Engineering 151 6.4 Additives Manipulation 155 6.5 Device Architecture Engineering 156 6.6 Conclusion 158 7 Fundamentals and Synthesis Methods of Metal Halide Perovskite Thin Films 165Mingwei Hao, Tanghao Liu, Yalan Zhang, Tianwei Duan, and Yuanyuan Zhou 7.1 Introduction 165 7.2 Fundamentals of MHPs Thin Films 166 7.3 Thin Film Growth Mechanism 173 7.4 One-step Growth 180 7.5 Two-step Growth 186 7.6 Scalable Growth Methods 192 7.7 Postdeposition Treatments 200 7.8 Summary 203 8 First Principles Atomistic Theory of Halide Perovskites 215Linn Leppert 8.1 Introduction: What I Talk About When I Talk About First Principles Calculations of Halide Perovskites 215 8.2 Structural Properties 217 8.3 Optoelectronic Properties 231 8.4 Concluding Remarks: First Person Singular 242 9 Comparing the Charge Dynamics in MAPbBr3 and MAPbI3 Using Microwave Photoconductance Measurements 251Tom J. Savenije, Jiashang Zhao, and Valentina M. Caselli 9.1 Time-Resolved Microwave Conductivity 251 9.2 Global Modeling of TRMC Data 254 9.3 TRMC Measurements on MAPbI3 and MAPbBr3 255 9.4 TRMC Measurements on MAPbI3 and MAPbBr3 with Charge Selective 10 Hot Carriers in Halide Perovskites 263Jia Wei Melvin Lim, Yue Wang, and Tze Chien Sum 10.1 Introduction 263 10.2 Hot Carrier Cooling Mechanisms 265 10.3 Slow Hot Carrier Cooling in Halide Perovskites 266 10.4 Utilizing Hot Carriers in Halide Perovskites 275 10.5 Multiple Exciton Generation 280 10.6 Multiple Exciton Generation Mechanisms 283 10.7 Efficient Multiple Exciton Generation in Halide Perovskites 289 10.8 Utilizing Multiple Exciton Generation in Halide Perovskites 296 10.9 Conclusion and Outlook 299 11 Ionic Transport in Perovskite Semiconductors 305Wenke Zhou, Yicheng Zhao, and Qing Zhao 11.1 Theoretical Basis of Ionic Transport 305 11.2 Characterizations of Ionic Transport 306 11.3 Mobile Ions in Perovskite Film Under Electric Field 309 11.4 The Factors Affecting Ionic Transport in Perovskites 311 11.5 The Impact of Ionic Transport on Perovskite Films and Devices 318 11.6 Summary and Outlook 322 12 Light Emission of Halide Perovskites 329David O. Tiede, Juan F. Galisteo-López, and Hernán Míguez 12.1 Introduction 329 12.2 Charge-Carrier Recombination in Lead-Halide Perovskites 330 12.3 Photoinduced Effects on Charge Carrier Recombination 338 12.4 Lasing in Lead-Halide Perovskites 341 12.5 Conclusions 345 13 Epitaxy and Strain Engineering of Halide Perovskites 351Yang Hu, Jie Jiang, Lifu Zhang, Yunfeng Shi, and Jian Shi 13.1 Introduction 351 13.2 Epitaxy of Thin Film and Nanostructures 353 13.2.1 Epitaxial Substrates 353 13.2.2 Epitaxial Growth and Defects Formation Mechanisms 355 13.2.3 Experimental Progresses 358 13.3 Strain Engineering 360 13.3.1 Theoretical Progresses 361 13.3.2 Experimental Progresses 363 13.4 Opportunities and Challenges 365 Acknowledgments 366 References 367 14 Electron Microscopy of Perovskite Solar Cell Materials 377Mathias U. Rothmann, Wei Li, and Zhiwei Tao 14.1 Introduction 377 14.2 Fundamentals of Electron Microscopy 377 14.3 Signal Generation 379 14.4 SEM 381 14.5 Conclusions 406 15 In Situ Characterization of Halide Perovskite Synthesis 411Maged Abdelsamie, Tim Kodalle, Mriganka Singh, and Carolin M. Sutter-Fella 15.1 Introduction 411 15.2 Fundamentals of X-Ray Scattering and Fluorescence Techniques 412 15.3 In Situ Optical Spectroscopy 423 15.4 Examples of In Situ Multimodal Characterization During Solution-Based Fabrication 430 15.5 Probing Beam–Sample Interaction 435 15.6 Summary and Outlook 437 16 Multimodal Characterization of Halide Perovskites: From the Macro to the Atomic Scale 443Tiarnan A. S. Doherty and Samuel D. Stranks 16.1 Introduction 443 16.2 Early Multimodal CharacterizationWork 445 16.3 Recent Multimodal Characterization 450 16.4 Pressing Challenges and Opportunities 464 16.5 Outlook and Opportunities 471 References 475 Index 483

Read more less

Book SynopsisManaging Engineering, Procurement, Construction, and Commissioning Projects An invaluable real-world guide to managing large-scale and complex Engineering, Procurement, Construction and Commissioning (EPCC) projects Engineering, Procurement, Construction and Commissioning (EPCC) infrastructure projects require engineers from several disciplines to adhere to strict budgetary, scheduling, and performance parameters. Chemical engineers involved in EPCC projects are involved primarily in ensuring that the process plant is designed correctly and safely—interacting with the client, contributing to feasibility studies, selecting specific technologies, developing process flow diagrams, and other key tasks. Managing Engineering, Procurement, Construction, and Commissioning Projects: A Chemical Engineer’s Guide clearly defines the role of a chemical engineer in the EPCC industry and provides detailed and systematic coverage of each phase of an EPCC project. Drawing from their extensive experience in process design, optimization, and analysis, the author identifies and discuss each key task and consideration from a chemical engineer’s perspective. Topics include scope and process planning, construction support, operator training, safety and viability evaluation, and detail engineering. Provides a structured overview of the various challenges chemical engineers face in each project phase Introduces the essential aspects of the Engineering, Procurement, Construction and Commissioning industry Describes the roles of chemical process engineers in each phase of EPCC projects and in different EPCC industry positions Discusses the interaction of process engineers with other disciplines and clients Managing Engineering, Procurement, Construction, and Commissioning Projects: A Chemical Engineer’s Guide is a must-have resource for chemists in industry, process engineers, chemical Engineers, engineering consultants, and project managers and planners working on EPCC projects across the chemical Industry.Table of ContentsChapter 1 - Introduction to Engineering, Procurement, Construction and Commissioning (EPCC) Industry Chapter 2 - Roles of chemical process engineers in different phases Chapter 3 - Scope planning Chapter 4 - Process planning Chapter 5 - Safety and viability evaluation Chapter 6 - Detail Engineering Chapter 7 - Construction support Chapter 8 - Water batching Chapter 9 - Operator Training Chapter 10 - Role by process engineer's position in the industry Chapter 11 - Interaction of process engineers with other disciplines and client INDEX

Read more less

Book SynopsisElectrocatalysis for Membrane Fuel Cells Comprehensive resource covering hydrogen oxidation reaction, oxygen reduction reaction, classes of electrocatalytic materials, and characterization methods Electrocatalysis for Membrane Fuel Cells focuses on all aspects of electrocatalysis for energy applications, covering perspectives as well as the low-temperature fuel systems principles, with main emphasis on hydrogen oxidation reaction (HOR) and the oxygen reduction reaction (ORR). Following an introduction to basic principles of electrochemistry for electrocatalysis with attention to the methods to obtain the parameters crucial to characterize these systems, Electrocatalysis for Membrane Fuel Cells covers sample topics such as: Electrocatalytic materials and electrode configurations, including precious versus non-precious metal centers, stability and the role of supports for catalytic nano-objects; Fundamentals on characterization techniques of materials and the various classes of electrocatalytic materials; Theoretical explanations of materials and systems using both Density Functional Theory (DFT) and molecular modelling; Principles and methods in the analysis of fuel cells systems, fuel cells integration and subsystem design. Electrocatalysis for Membrane Fuel Cells quickly and efficiently introduces the field of electrochemistry, along with synthesis and testing in prototypes of materials, to researchers and professionals interested in renewable energy and electrocatalysis for chemical energy conversion.Table of ContentsPreface xv Part I Overview of Systems 1 1 System-level Constraints on Fuel Cell Materials and Electrocatalysts 3 Elliot Padgett and Dimitrios Papageorgopoulos 1.1 Overview of Fuel Cell Applications and System Designs 3 1.1.1 System-level Fuel Cell Metrics 3 1.1.2 Fuel Cell Subsystems and Balance of Plant (BOP) Components 5 1.1.3 Comparison of Fuel Cell Systems for Different Applications 9 1.2 Application-derived Requirements and Constraints 10 1.2.1 Fuel Cell Performance and the Heat Rejection Constraint 10 1.2.2 Startup, Flexibility, and Robustness 13 1.2.3 Fuel Cell Durability 14 1.2.4 Cost 16 1.3 Material Pathways to Improved Fuel Cells 18 1.4 Note 19 Acronyms 20 Symbols 20 References 20 2 PEM Fuel Cell Design from the Atom to the Automobile 23 Andrew Haug and Michael Yandrasits 2.1 Introduction 23 2.2 The PEMFC Catalyst 27 2.3 The Electrode 32 2.4 Membrane 38 2.5 The GDL 42 2.6 CCM and MEA 46 2.7 Flowfield and Single Fuel Cell 50 2.8 Stack and System 55 Acronyms 57 References 58 Part II Basics – Fundamentals 69 3 Electrochemical Fundamentals 71 Vito Di Noto, Gioele Pagot, Keti Vezzù, Enrico Negro, and Paolo Sgarbossa 3.1 Principles of Electrochemistry 71 3.2 The Role of the First Faraday Law 71 3.3 Electric Double Layer and the Formation of a Potential Difference at the Interface 73 3.4 The Cell 74 3.5 The Spontaneous Processes and the Nernst Equation 75 3.6 Representation of an Electrochemical Cell and the Nernst Equation 77 3.7 The Electrochemical Series 79 3.8 Dependence of the E cell on Temperature and Pressure 82 3.9 Thermodynamic Efficiencies 83 3.10 Case Study – The Impact of Thermodynamics on the Corrosion of Low-T FC Electrodes 85 3.11 Reaction Kinetics and Fuel Cells 88 3.11.1 Correlation Between Current and Reaction Kinetics 88 3.11.2 The Concept of Exchange Current 89 3.12 Charge Transfer Theory Based on Distribution of Energy States 89 3.12.1 The Butler–Volmer Equation 96 3.12.2 The Tafel Equation 100 3.12.3 Interplay Between Exchange Current and Electrocatalyst Activity 101 3.13 Conclusions 103 Acronyms 104 Symbols 104 References 107 4 Quantifying the Kinetic Parameters of Fuel Cell Reactions 111 Viktoriia A. Saveleva, Juan Herranz, and Thomas J. Schmidt 4.1 Introduction 111 4.2 Electrochemical Active Surface Area (ECSA) Determination 114 4.2.1 ECSA Determination Using Underpotential Deposition 115 4.2.1.1 Hydrogen Underpotential Deposition (H UPD) 116 4.2.1.2 Copper Underpotential Deposition (Cu UPD) 117 4.2.2 ECSA Quantification Based on the Adsorption of Probe Molecules 118 4.2.2.1 CO Stripping 118 4.2.2.2 No –2 ∕NO Sorption 119 4.2.3 Double-layer Capacitance Measurements and Other Methods 120 4.2.4 ECSA Measurements in a PEFC: Which Method to Choose? 120 4.3 H 2 -Oxidation and Electrochemical Setups for the Quantification of Kinetic Parameters 121 4.3.1 Rotating Disc Electrodes (RDEs) 122 4.3.2 Hydrogen Pump (PEFC) Approach 124 4.3.3 Ultramicroelectrode Approach 125 4.3.4 Scanning Electrochemical Microscopy (SECM) Approach 125 4.3.5 Floating Electrode Method 127 4.3.6 Methods Summary 128 4.4 ORR Kinetics 129 4.4.1 ORR Mechanism Studies with RRDE Setups 129 4.4.2 ORR Pathway on Me/N/C ORR Catalysts 130 4.4.3 ORR Kinetics: Methods 132 4.4.3.1 Pt-based Electrodes 132 4.4.3.2 Pt-free Catalysts: RDE vs. PEFC Kinetic Studies 133 4.5 Concluding Remarks 133 Acronyms 134 Symbols 134 References 135 5 Adverse and Beneficial Functions of Surface Layers Formed on Fuel Cell Electrocatalysts 149 Shimshon Gottesfeld 5.1 Introduction 149 5.2 Catalyst Capping in Heterogeneous Catalysis and in Electrocatalysis 151 5.3 Passivation of PGM/TM and Non-PGM HOR Catalysts and Its Possible Prevention 156 5.4 Literature Reports on Fuel Cell Catalyst Protection by Capping 161 5.4.1 Protection of ORR Pt catalysts Against Agglomeration by an Ultrathin Overlayer of Mesoporous SiO 2 or Me–SiO 2 161 5.4.2 Protection by Carbon Caps Against Catalyst Detachment and Catalyst Passivation Under Ambient Conditions 162 5.5 Other Means for Improving the Performance Stability of Supported Electrocatalysts 166 5.5.1 Replacement of Carbon Supports by Ceramic Supports 166 5.5.2 Protection of Pt Catalysts by Enclosure in Mesopores 167 5.6 Conclusions 170 Abbreviations 171 References 171 Part III State of the Art 175 6 Design of PGM-free ORR Catalysts: From Molecular to the State of the Art 177 Naomi Levy and Lior Elbaz 6.1 Introduction 177 6.2 The Influence of Molecular Changes Within the Complex 179 6.2.1 The Role of the Metal Center 179 6.2.2 Addition of Substituents to MCs 183 6.2.2.1 Beta-substituents 184 6.2.3 Meso-substituents 186 6.2.4 Axial Ligands 187 6.3 Cooperative Effects Between Neighboring MCs 190 6.3.1 Bimetallic Cofacial Complexes – “Packman” Complexes 191 6.3.2 MC Polymers 191 6.4 The Physical and/or Chemical Interactions Between the Catalyst and Its Support Material 193 6.5 Effect of Pyrolysis 194 Acronyms 196 References 196 7 Recent Advances in Electrocatalysts for Hydrogen Oxidation Reaction in Alkaline Electrolytes 205 Indra N. Pulidindi and Meital Shviro 7.1 Introduction 205 7.2 Mechanism of the HOR in Alkaline Media 206 7.3 Electrocatalysts for Alkaline HOR 212 7.3.1 Platinum Group Metal HOR Electrocatalysts 212 7.3.2 Non-platinum Group Metal-based HOR Electrocatalysts 214 7.4 Conclusions 220 Acronyms 221 References 221 8 Membranes for Fuel Cells 227 Paolo Sgarbossa, Giovanni Crivellaro, Francesco Lanero, Gioele Pagot, Afaaf R. Alvi, Enrico Negro, Keti Vezzù, and Vito Di Noto 8.1 Introduction 227 8.2 Properties of the PE separators 228 8.2.1 Benchmarking of IEMs 229 8.2.2 Ion-exchange Capacity (IEC) 229 8.2.3 Water Uptake (WU), Swelling Ratio (SR), and Water Transport 231 8.2.4 Ionic Conductivity (σ) 233 8.2.5 Gas Permeability 234 8.2.6 Chemical Stability 235 8.2.7 Thermal and Mechanical Stability 237 8.2.8 Cost of the IEMs 239 8.3 Classification of Ion-exchange Membranes 240 8.3.1 Cation-exchange Membranes (CEMs) 240 8.3.1.1 Perfluorinated Membranes 240 8.3.1.2 Nonperfluorinated Membranes 245 8.3.2 Anion-exchange Membranes (AEMs) 246 8.3.2.1 Functionalized Polyketones 247 8.3.2.2 Poly(Vinyl Benzyl Trimethyl Ammonium) (PVBTMA) Polymers 248 8.3.2.3 Poly(sulfones) (PS) 249 8.3.3 Hybrid Ion-exchange Membranes 249 8.3.3.1 Hybrid Membranes with Single Ceramic Oxoclusters [P/(M X O Y) n ] 250 8.3.3.2 Hybrid Membranes Comprising Surface-functionalized Nanofillers 254 8.3.3.3 Hybrid Membranes Doped with hierarchical “Core–Shell” Nanofillers 254 8.3.4 Porous Membranes 257 8.3.4.1 Porous Membranes as Host Material 257 8.3.4.2 Porous Membranes as Support Layer 258 8.3.4.3 Porous Membranes as Unconventional Separators 259 8.4 Mechanism of Ion Conduction 259 8.5 Summary and Perspectives 268 Acronyms 271 Symbols 272 References 272 9 Supports for Oxygen Reduction Catalysts: Understanding and Improving Structure, Stability, and Activity 287 Iwona A. Rutkowska, Sylwia Zoladek, and Pawel J. Kulesza 9.1 Introduction 287 9.2 Carbon Black Supports 288 9.3 Decoration and Modification with Metal Oxide Nanostructures 289 9.4 Carbon Nanotube as Carriers 291 9.5 Doping, Modification, and Other Carbon Supports 293 9.6 Graphene as Catalytic Component 293 9.7 Metal Oxide-containing ORR Catalysts 296 9.8 Photodeposition of Pt on Various Oxide–Carbon Composites 299 9.9 Other Supports 301 9.10 Alkaline Medium 302 9.11 Toward More Complex Hybrid Systems 303 9.12 Stabilization Approaches 306 9.13 Conclusions and Perspectives 307 Acknowledgment 308 Acronyms 308 References 308 Part IV Physical–Chemical Characterization 319 10 Understanding the Electrocatalytic Reaction in the Fuel Cell by Tracking the Dynamics of the Catalyst by X-ray Absorption Spectroscopy 321 Ditty Dixon, Aiswarya Bhaskar, and Aswathi Thottungal 10.1 Introduction 321 10.2 A Short Introduction to XAS 323 10.3 Application of XAS in Electrocatalysis 325 10.3.1 Ex Situ Characterization of Electrocatalyst 325 10.3.2 Operando XAS Studies 330 10.4 Δμ XANES Analysis to Track Adsorbate 334 10.5 Time-resolved Operando XAS Measurements in Fuel Cells 338 10.6 Fourth-generation Synchrotron Facilities and Advanced Characterization Techniques 340 10.6.1 Total-reflection Fluorescence X-ray Absorption Spectroscopy 341 10.6.2 Resonant X-ray Emission Spectroscopy (RXES) 341 10.6.3 Combined XRD and XAS 342 10.7 Conclusions 342 Acronyms 343 References 344 Part V Modeling 349 11 Unraveling Local Electrocatalytic Conditions with Theory and Computation 351 Jun Huang, Mohammad J. Eslamibidgoli, and Michael H. Eikerling 11.1 Local Reaction Conditions: Why Bother? 351 11.2 From Electrochemical Cells to Interfaces: Basic Concepts 352 11.3 Characteristics of Electrocatalytic Interfaces 355 11.4 Multifaceted Effects of Surface Charging on the Local Reaction Conditions 356 11.5 The Challenges in Modeling Electrified Interfaces using First-principles Methods 358 11.5.1 Computational Hydrogen Electrode 359 11.5.2 Unit-cell Extrapolation, Explicit Solvated Protons, and Excess Electrons 360 11.5.3 Counter Charge and Reference Electrode 361 11.5.4 Effective Screening Medium and mPB Theory 361 11.5.5 Grand-canonical DFT 362 11.6 A Concerted Theoretical–Computational Framework 362 11.7 Case Study: Oxygen Reduction at Pt(111) 364 11.8 Outlook 367 Acronyms 367 Symbols 368 References 368 Part VI Protocols 375 12 Quantifying the Activity of Electrocatalysts 377 Karla Vega-Granados and Nicolas Alonso-Vante 12.1 Introduction: Toward a Systematic Protocol for Activity Measurements 377 12.2 Materials Consideration 378 12.2.1 PGM Group 378 12.2.2 Low PGM and PGM-free Approaches 379 12.2.3 Impact of Support Effects on Catalytic Sites 381 12.3 Electrochemical Cell Considerations 382 12.3.1 Cell Configuration and Material 382 12.3.2 Electrolyte 385 12.3.2.1 Purity 385 12.3.2.2 Protons vs. Hydroxide Ions 386 12.3.2.3 Influence of Counterions 388 12.3.3 Electrode Potential Measurements 388 12.3.4 Preparation of Electrodes 391 12.3.5 Well-defined and Nanoparticulated Objects 395 12.4 Parameters Diagnostic of Electrochemical Performance 396 12.4.1 Surface Area 396 12.4.2 Hydrogen Underpotential Deposition Integration 397 12.4.2.1 Surface Oxide Reduction 398 12.4.2.2 CO Monolayer Oxidation (CO Stripping) 400 12.4.2.3 Underpotential Deposition of Metals 401 12.4.2.4 Double-layer Capacitance 402 12.4.3 Electrocatalysts Site Density 402 12.4.4 Data Evaluation (Half-Cell Reactions) 404 12.4.5 The E 1/2 and E (j Pt (5%)) Parameters 405 12.5 Stability Tests 407 12.6 Data Evaluation (Auxiliary Techniques) 409 12.6.1 Surface Atoms vs. Bulk 410 12.7 Conclusions 411 Acknowledgments 412 Acronyms 412 Symbols 413 References 414 13 Durability of Fuel Cell Electrocatalysts and Methods for Performance Assessment 429 Bianca M. Ceballos and Piotr Zelenay 13.1 Introduction 429 13.2 Fuel Cell PGM-free Electrocatalysts for Low-temperature Applications 431 13.3 PGM-free Electrocatalyst Degradation Pathways 432 13.3.1 Demetallation 432 13.3.2 Carbon Oxidation 436 13.3.3 Micropore Flooding 439 13.3.4 Nitrogen Protonation and Anionic Adsorption 439 13.4 PGM-free Electrocatalyst Durability and Metrics 440 13.4.1 Performance and Durability Evaluation in Air-supplied Fuel Cell Cathode 440 13.4.2 Assessment of Carbon Corrosion in Nitrogen-purged Cathode 443 13.4.3 Determination of Performance Loss upon Cycling Cathode Catalyst in Nitrogen 443 13.4.4 Recommendations for ORR Electrocatalyst Evaluation in RRDE in O 2 and in an Inert Gas 446 13.4.5 Electrocatalyst Corrosion 447 13.5 Low-PGM Catalyst Degradation 447 13.5.1 Pt Dissolution 449 13.5.2 Carbon Support Corrosion 452 13.5.3 Pt Catalyst MEA Activity Assessment and Durability 454 13.5.4 PGM Electrocatalyst MEA Conditioning in H 2 /Air 454 13.5.5 Accelerated Stress Test of PGM Electrocatalyst Durability 456 13.6 Conclusion 457 Acronyms 459 References 460 Part VII Systems 471 14 Modeling of Polymer Electrolyte Membrane Fuel Cells 473 Andrea Baricci, Andrea Casalegno, Dario Maggiolo, Federico Moro, Matteo Zago, and Massimo Guarnieri 14.1 Introduction 473 14.2 General Equations for PEMFC Models 474 14.2.1 Analytical and Numerical Modeling 474 14.2.2 Reversible Electromotive Force 476 14.2.3 Fuel Cell Voltage 477 14.2.4 Activation Overpotential 478 14.2.5 Ohmic Overpotential – PEM Model 479 14.2.6 Concentration Overpotential 480 14.2.7 Examples of Fuel Cell Modeling 482 14.3 Multiphase Water Transport Model for PEMFCs 483 14.4 Fluid Mechanics in PEMFC Porous Media: From 3D Simulations to 1D Models 488 14.4.1 From Micro- to Macroscopic Models 490 14.4.2 Porous Medium Anisotropy 491 14.4.3 Fluid–Fluid Viscous Drag 492 14.4.4 Surface Tension and Capillary Pressure 492 14.5 Physical-based Modeling for Electrochemical Impedance Spectroscopy 496 14.5.1 Experimental Measurement and Modeling Approaches 496 14.5.2 Physical-based Modeling 497 14.5.2.1 Current Relaxation 497 14.5.2.2 Laplace Transform 498 14.5.3 Typical Impedance Features of PEMFC 498 14.5.4 Application of EIS Modeling to PEMFC Diagnostic 500 14.5.5 Approximations of 1D Approach 501 14.6 Conclusions and Perspectives 502 Acronyms 503 Symbols 504 References 507 15 Physics-based Modeling of Polymer Electrolyte Membrane Fuel Cells: From Cell to Automotive Systems 511 Andrea Baricci, Matteo Zago, Simone Buso, Marco Sorrentino, and Andrea Casalegno 15.1 Polymer Fuel Cell Model for Stack Simulation 511 15.1.1 General Characteristics of a Fuel Cell System for Automotive Applications 511 15.1.2 Analysis of the Channel Geometry for Stack Performance Modeling 514 15.1.3 Analysis of the Air and Hydrogen Utilization for Stack Performance Modeling 516 15.1.4 Introduction to Transient Stack Models 518 15.2 Auxiliary Subsystems Modeling 519 15.2.1 Air Management Subsystem 519 15.2.2 Hydrogen Management Subsystem 521 15.2.3 Thermal Management Subsystem 522 15.2.4 PEMFC System Simulation 522 15.3 Electronic Power Converters for Fuel Cell-powered Vehicles 525 15.3.1 Power Converter Architecture 527 15.3.2 Load Adaptability 527 15.3.3 Power Electronic System Components 528 15.3.3.1 Port Interface Converters 530 15.3.3.2 The PEMFC Interface Converter 530 15.3.3.3 The Motor Interface Converter 530 15.3.3.4 The Energy Storage Interface 531 15.3.3.5 Supervisory Control 531 15.4 Fuel Cell Powertrains for Mobility Use 532 15.4.1 Transport Application Scenarios 532 15.4.2 Tools for the Codesign of Transport Fuel Cell Systems and Energy Management Strategies 534 15.4.2.1 Automotive Case Study: Optimal Codesign of an LDV FCHV Powertrain 535 Acronyms 540 Symbols 541 References 541 Index 545

Read more less

Book SynopsisTwo-Dimensional-Materials-Based Membranes An authoritative and up to date discussion of two-dimensional materials and membranes In Two-Dimensional-Materials-Based Membranes: Preparation, Characterization, and Applications, a team of distinguished chemical engineers delivers a comprehensive exploration of the latest advances in design principles, synthesis approaches, and applications of two-dimensional (2D) materials—like graphene, metal-organic frameworks (MOFs), 2D layered double hydroxides, and MXene—and highlights the significance and development of these membranes. In the book, the authors discuss the use of membranes to achieve high-efficiency separation and to address the challenges posed in the field. The book also discusses potential challenges and benefits in the future development of advanced 2D nanostructures, as well as their impending implementation in applications in the fields of energy, sustainability, catalysis, electronics, and biotechnology. Readers will also find: A thorough introduction to fabrication methods for 2D-materials-based membranes, including the synthesis of nanosheets, membrane structures, and fabrication methods Descriptions of three types of 2D-materials-based membranes: single-layer membranes, laminar membranes and mixed-matrix membranes Comprehensive discussions of 2D-materials-based membranes for water and ions separation, solvent-water separation and gas separation Explorations of transport mechanism of 2D-materials-based membranes for molecular separations Perfect for membrane scientists, inorganic chemists, and materials scientists, Two-Dimensional-Materials-Based Membranes will also earn a place in the libraries of chemical and process engineers in industrial environments.Table of ContentsChapter 1. Introduction Chapter 2. Fabrication methods for 2D membranes Chapter 3. Porous graphene-based nanosheet membranes Chapter 4. Graphene-based membranes for water separation Chapter 5. Graphene-based membranes for ions separation Chapter 6. Graphene-based membranes for pervaporation Chapter 7. Graphene-based membranes for gas separation Chapter 8. 2D MOF or zeolite membranes Chapter 9. 2D layered double hydroxides membranes Chapter 10. MXene and other 2D membranes Chapter 11. 2D-materials mixed-matrix membranes Chapter 12. Transport mechanism of 2D membranes Chapter 13. Prospective

Read more less

Book SynopsisThe world progresses toward Industry 4.0, and manufacturers are challenged to successfully navigate this unique digital journey. To some, digitalization is a golden opportunity; to others, it is a necessary evil. But to optimist and pessimist alike, there is a widespread puzzlement over the practical details of digitalization. To many manufacturers, digital transformation is a vague and confusing concept they nevertheless must grapple with in order to survive the Fourth Industrial Revolution. The proliferation of digital manufacturing technologies adds to the confusion, leaving many manufacturers perplexed and unprepared, with little real insight into how emerging technologies can help them sustain a competitive edge in their markets. This book effectively conveys Siemens's knowledge and experience through a concept called "Smart Digital Manufacturing," a stepwise approach to realizing the promise of the Fourth Industrial Revolution. The Smart Digital Manufacturing roadmap provides guidance and enables low-risk, high-reward adoption of new manufacturing software technologies through a series of tipping-point investment decisions that result in optimized manufacturing performance. The book provides readers with a clear understanding of what digital technology has to offer them, and how and when to invest in these essential components of tomorrow?s factories. René Wolf is Senior Vice President of Manufacturing Operations Management Software for Siemens Digital Industries Software, a business unit of the Siemens Digital Factory Division. Raffaello Lepratti is Vice President of Business Development and Marketing for Siemens Digital Industries Software.Table of ContentsPreface vii Acknowledgments xi Acronyms xiii About the Authors xv Part I Defining Smart Digital Manufacturing and Manufacturing 4.x 1 1 Introducing Manufacturing 4.x for Smart Digital Manufacturing 3 1.1 From Industry 4.0 to Manufacturing 4.x 6 1.2 Manufacturing Operations: The Permanent Functions to Which Manufacturing 4.x is Applied 9 2 The Framework for Manufacturing 4.x 15 2.1 The Time Factor 17 2.2 Manufacturing 4.x Iterations 19 3 The Manufacturing 4.x Roadmap 23 3.1 The Role of Digital Twins in Manufacturing 4.x 29 3.2 Manufacturing 4.x Enabling Technologies 31 4 Finding Your Tipping Points 33 4.1 Market Trends 33 4.1.1 Globalization 34 4.1.2 Mass Customization 34 4.1.3 Proliferating Regulations and Standards 35 4.1.4 Market Consolidation and Technology Partnerships 36 4.2 Strategic Considerations 37 4.2.1 Accommodating High-mix, High-volume Production 37 4.2.2 Design Anywhere, Build Everywhere 38 4.2.3 Manufacturing Data Utilization 39 4.3 Field Data Utilization 40 4.4 From the General to the Specific 41 References 41 Part II Manufacturing 4.x for Specific Approaches 43 5 Manufacturing 4.x for Repetitive Operations 47 5.1 High-volume Efficiency 48 5.2 Making to Order, Repetitively 51 5.3 Data and Closed Loops 54 5.4 Repetitive Manufacturing and Manufacturing 4.x 55 6 Manufacturing 4.x for Process Industries 57 6.1 Process Manufacturing Distinctives 57 6.2 Outstripping Legacy System Capabilities 61 6.3 Integrated, Distributed Production 62 6.4 Batches of One with Speed to Market 63 References 66 7 Manufacturing 4.x for Complex Manufacturing 67 7.1 Paths to Digital Integration 68 7.2 Globalization and Disruptive Product Technology 70 7.3 Closing the Supply-chain Loop 71 7.4 Closed-loop Quality Through Long Product Lives 73 References 74 8 Manufacturing 4.x for Small and Medium Businesses, Cloud Adoption 75 8.1 The Solution in Point Solutions 76 8.2 What to Look for in Each Point Solution 76 8.3 What the Cloud Means for Manufacturing SMBs 78 8.4 The Cloud Gives Control to Users for Smart Data Insights 80 8.5 Bringing Together the IIoT with the Manufacturing IT Landscape 84 References 84 Part III 85 9 Critical Success Factors 87 9.1 The Workforce and Change Culture 87 9.2 The Role of Management 89 9.3 Transformation Beyond the Digital 89 Reference 90 10 Conclusion 91 Index 95

Read more less

Book SynopsisPrintable Mesoscopic Perovskite Solar Cells A comprehensive exploration of printable perovskite solar cells and their potential for commercialization In Printable Mesoscopic Perovskite Solar Cells, a team of distinguished researchers delivers an accessible and incisive discussion of the principles, technologies, and fabrication processes associated with the manufacture and use of perovskite solar cells. The authors detail the properties, characterization methods, and technologies for halide perovskite materials and devices and explain printable processing technologies, mesoscopic anode and cathodes, and spacer layers for printable perovskite solar cells. In the book, you’ll find expansive discussions of the stability issues inherent in perovskite solar cells and explore the potential for scaling and commercializing the printing of perovskite solar cells, complete with real-world industry data. Readers will also find: A thorough introduction to the background and fundamentals of perovskite solar cells Comprehensive explorations of the characterization methods and technologies used with halide perovskite materials and devices Practical discussions of printable processing technologies for perovskite solar cells Fulsome treatments of the stability issues associated with perovskite solar cells and potential solutions for them Perfect for materials scientists, solid state physicists and chemists, and electronics engineers, Printable Mesoscopic Perovskite Solar Cells will also benefit surface chemists and physicists.Table of ContentsBiography xi Preface xiii 1 Background and Basic Knowledge of Perovskite Solar Cells 1 Maria Vasilopoulou, Abd Rashid B. Mohd Yusoff, and Mohammad K. Nazeeruddin 1.1 Background 1 1.2 The Principle of Solar Cells 2 1.2.1 Silicon Solar Cells 2 1.2.2 Dye-sensitized Solar Cells 7 1.2.3 Organic Solar Cells 9 1.2.4 Perovskite Solar Cells 11 1.3 The Typical Structures of PSC 13 1.3.1 Mesoscopic Structure 13 1.3.2 Triple-mesoscopic Layer Structure 14 1.3.3 Regular Planar n-i-p Structure 15 1.3.4 Inverted Planar p-i-n Structure 15 References 15 2 Characterization Methods and Technologies for Halide Perovskite Materials and Devices 19 Lukas Wagner, Dmitry Bogachuk, Cheng Qiu, Gayathri Mathiazhagan, Salma Zouhair, and Andreas Hinsch 2.1 Introduction 19 2.2 Printing Layer Quality 19 2.2.1 Thickness Measurement 19 2.2.1.1 Profilometry 20 2.2.1.2 Sem 20 2.2.1.3 Ellipsometry 20 2.2.2 Porosity Estimation 21 2.2.2.1 Gas Adsorption (BET Method) 21 2.2.2.2 SEM/FIB 3D Nanotomography 22 2.2.3 Sheet Resistance 23 2.2.3.1 Four-point Probe Measurement 23 2.2.4 Shunt Resistance of Unfilled Cell 24 2.3 Material and Crystal Properties 25 2.3.1 X-Ray Diffraction (XRD) Analysis 25 2.3.2 UV–Vis–NIR Spectroscopy 25 2.3.3 Raman Shift Spectroscopy 26 2.3.4 Scanning Electron Microscopy (SEM) and Energy Dispersive X-Ray Spectroscopy (EDX) 28 2.3.4.1 Scanning Electron Microscopy (SEM) 28 2.3.4.2 Energy Dispersive X-Ray Spectroscopy (EDX) 30 2.3.5 Atomic Force Microscopy (AFM) 31 2.3.6 Contact Angle Measurement 32 2.4 Spatially Resolved Steady-state Photophysical Methods 33 2.4.1 Photoluminescence Microscopy Imaging 34 2.4.2 Microscopic Photoluminescence Spectroscopy Mapping 35 2.4.3 Electroluminescence Imaging 36 2.4.4 Bias-dependent Photoluminescence Imaging 37 2.4.5 Real-time Photoluminescence Measurement 37 2.4.6 Dark Lock-in Thermography (DLIT) 39 2.4.7 Light-Beam-Induced Current (LBIC) 42 2.5 Transient Optoelectronic Methods 42 2.5.1 Intensity-modulated Photocurrent/Photovoltage Spectroscopy (imps/imvs) 42 2.5.2 Transient Photocurrent/Photovoltage (TPC/TPV) 43 2.5.3 Open-circuit Voltage Decay (OCVD) Analysis for Shunt Detection 44 2.5.4 Transient Absorption Spectroscopy (TAS) 45 2.5.5 Time-resolved Photoluminescence (TRPL) 46 2.5.5.1 Typical Setup: Pulsed (Transient) Excitation 46 2.5.5.2 Alternative Setup: Steady-state Excitation 46 2.5.5.3 Some Notes on Sample Preparation 49 2.5.6 Note on the Extension to Spatially Resolved Measurements 50 2.6 I–V Performance: Transient and Steady State 50 2.6.1 I–V Characterization 50 2.6.2 I–V Hysteresis 51 2.6.3 Stabilized Efficiency Measurement 52 2.6.4 Spectral Response/External Quantum Efficiency (SR/EQE) 52 2.6.5 V Oc Vs. Light Intensity Measurement 54 2.6.6 Effect of Parallel and Series Resistance R p 55 2.6.7 Effect of Saturation Current J 01 and J 02 56 2.6.8 Certification of PV Performance 57 2.6.9 Long-term Stability Measurement 58 References 59 3 Printable Processing Technologies for Perovskite Solar Cells 65 Daiyu Li, Anyi Mei, Yue Hu, and Hongwei Han 3.1 Introduction 65 3.2 Solution-Based Technologies 67 3.2.1 Spin Coating 67 3.2.2 Blade Coating 68 3.2.3 Slot-Die Coating 69 3.2.4 Bar Coating 72 3.2.5 Spray Coating 73 3.2.6 Inkjet Printing 75 3.2.7 Screen Printing 76 3.2.8 Chemical Bath Deposition 78 3.2.9 Soft-Cover Deposition 79 3.2.10 Brush Painting 80 3.3 Conclusion and Outlook 82 References 83 4 Mesoscopic Anodes and Cathodes for Printable Perovskite Solar Cells 89 Seigo Ito and Ryuki Tsuji 4.1 Introduction 89 4.2 Fabrication Methods 90 4.3 Comact Layer (TiO2) 92 4.4 Mesoporous Anodes (n-Type Semiconductor: TiO2 ,etc.) 95 4.5 Mesoporous Cathodes (NiO and Co3 O4) 99 4.6 Back-Contact Porous Carbon 100 4.7 Photovoltaic Measurements 102 4.8 Conclusion 103 References 103 5 Insulating Layers for Printable Mesoscopic Perovskite Solar Cells 105 Jian Zhang, Dongjie Wang, and Yuli Xiong 5.1 Introduction 105 5.2 ZrO2 -Insulating Mesoscopic Layers 106 5.3 Al2 O3 -Insulating Mesoscopic Layers 117 5.4 SiO2 -Insulating Mesoscopic Layers 121 5.5 Multilayer Insulating Mesoscopic Layers 124 5.5.1 Al2 O3 + ZrO2 124 5.5.2 Al2 O3 + NiO 126 5.5.3 ZrO2 + NiO 128 5.6 Conclusion and Perspective 130 References 132 6 Perovskite Materials and Perovskite Solar Cells 137 Maria Vasilopoulou, Abd Rashid B. Mohd Yusoff, and Mohammad K. Nazeeruddin 6.1 Perovskite Materials 137 6.1.1 3D Halide Perovskites 137 6.1.2 2D Halide Perovskites 142 6.1.3 Synthesis of Halide Perovskites 144 6.2 Compositional and Interfacial Engineering of Perovskite Solar Cells 147 6.2.1 Solvent Engineering 147 6.2.2 Cation Optimization 150 6.2.3 Halide Optimization 151 6.2.4 Stoichiometric and Nonstoichiometric Compositions 151 6.2.5 The Influence of Inorganic Cations on the Formation of Different Phases 153 6.2.6 Halide Segregation 155 6.2.7 Interface Engineering 155 6.2.8 Charge Transfer Dynamics 157 References 157 7 The Efficiency Progress in Printable Mesoscopic Perovskite Solar Cells 167 Xufeng Xiao, Wenhao Zhang, Qifei Wang, Wenjun Wu, and Yue Hu 7.1 Introduction 167 7.2 Solvent Engineering and Annealing 169 7.2.1 Solvent Engineering 169 7.2.2 Solvent Annealing 174 7.3 Composition Engineering 178 7.3.1 The A-Site Cation 178 7.3.2 The B-Site Cation and X-Site Anion 180 7.4 Additive Engineering 183 7.4.1 Functional Molecular Additives 183 7.4.2 Other Additives 187 7.5 Interfaces Engineering 190 7.5.1 Interface of Perovskite and Electron Transport Materials 191 7.5.2 Interface of Perovskite and Counter Electrode 193 7.6 Conclusion and Outlook 198 References 198 8 Stability Issues and Solutions for Perovskite Solar Cells 209 Deyi Zhang, Anyi Mei, and Hongwei Han 8.1 Substrate 210 8.2 Electron Transport Layer 210 8.3 Hole Transport Layer 212 8.4 Back Electrode 212 8.5 Encapsulant 215 8.6 Halide Perovskite Light Absorbing Layer 216 8.6.1 Thermal Stability 216 8.6.2 Phase Stability 217 8.6.3 Ambient Stability 218 8.6.4 Operational Stability 219 8.6.4.1 Degradation Pathways 219 8.6.4.2 Heat Management 222 8.6.4.3 Grain Boundary Modification 223 8.6.4.4 Interface Strengthening 223 8.6.4.5 Defect Degeneration 225 8.6.4.6 Reverse-bias Voltages 226 8.7 Summary 227 References 228 9 Manufacture, Modules, and Applications 237 Simone Meroni and Trystan Watson 9.1 Introduction 237 9.2 Manufacture 240 9.2.1 Screen Printing 240 9.2.1.1 Ink Properties 243 9.2.1.2 Mesh Characteristics 243 9.2.1.3 Gap Between Screen and Substrate 244 9.2.1.4 A Case Study: TiO2 245 9.2.2 Deposition of the Compact TiO2 246 9.2.3 Deposition of the Mesoscopic Layers 248 9.2.4 Deposition of Additional Interlayers 248 9.2.5 Infiltration of Perovskite 249 9.3 Modules 250 9.3.1 Designs 251 9.3.2 Optimization 253 9.3.2.1 A Simplified Approach 253 9.3.2.2 2D Poisson’s Equation 255 9.3.2.3 Carbon Cells and Contact Resistance 258 9.4 Applications 258 9.4.1 Modules Performance 258 9.4.2 Encapsulation and Outdoor Performance 259 9.4.3 Indoor Applications 261 9.5 Summary 262 References 263 10 Perspective 269 Xiayan Chen, Yue Hu, Anyi Mei, Yinhua Zhou, and Hongwei Han 10.1 Commercializing 269 10.2 Exceeding SQ Limit 270 10.3 Efficiency Breaking Out of SQ Limit 273 References 274 Index 277

Read more less

Book SynopsisModern learning resource providing broad coverage of the rapidly-advancing field of upconverting nanoparticles This modern reference explains photon upconversion technology using nanoparticles from first principles to novel and future applications in imaging, sensing, catalysis, energy technology, biomedicine, and many other areas. Expert authors discuss both established and novel materials and applications, going far beyond the coverage of previously published books on the subject. Key topics covered in the book include: Synthesis, characterization, and basic properties of nanoparticles with photon-upconverting properties New types of upconverting nanoparticles, including transition metal- and rare earth-doped materials, metal-organic frameworks, core/shell particles, and surface-modified particles Current and emerging application areas for upconverting nanoparticles, including heating, lighting, sensing, and detection Biomedical uses of nanoparticles, including photodynamic therapy Photon upconversion using nanoparticles has opened the door to a new universe of light-powered technology. This book is a key resource for scientists, physicists, and chemists across a wide range of disciplines who wish to master the theory, methods and applications of this powerful new technology.Table of ContentsPreface xv 1 Introduction to Upconversion and Upconverting Nanoparticles 1Manisha Mondal and Vineet Kumar Rai 1.1 Introduction 1 1.2 Frequency Conversion and Its Various Processes 2 1.2.1 Stokes Emission 2 1.2.2 Anti-Stokes Emission 2 1.2.2.1 Ground/Excited-State Absorption (GSA/ESA) 3 1.2.2.2 Energy Transfer Upconversion (ETU) 4 1.2.2.3 Cooperative Luminescence and Cooperative Sensitization Upconversion (csu) 5 1.2.2.4 Cross-relaxation (CR) and Photon Avalanche (PA) 6 1.3 Transition Metals and Their Properties 7 1.4 Rare Earths and Their Properties 8 1.4.1 Trivalent Rare-Earth Ions 9 1.4.1.1 Electronic Structure 9 1.4.1.2 Interaction of Rare-Earth Ions 10 1.4.1.3 Dieke Diagram 13 1.4.2 Divalent Rare-Earth Ions 13 1.5 Excitation and De-excitation Processes of Rare Earths in Solid Materials 15 1.5.1 Excitation Processes 15 1.5.1.1 f–f Transition 15 1.5.1.2 f–d Transition 15 1.5.1.3 Charge Transfer Transition 15 1.5.2 Emission Processes 15 1.5.2.1 Emission via Radiative Transitions 15 1.5.2.2 Emission via Nonradiative Transitions 16 1.5.2.3 Energy Transfer Processes 16 1.6 Rate Equations Relevant to UC Mechanism 18 1.6.1 Rate Equations in a Basic Three-Level System 18 1.6.2 Rate Equation Related to Pump Power-Dependent UC Emission 19 1.7 Theoretical Description of Optical Characteristics of Rare-Earth Ions 20 1.7.1 Judd–Ofelt (J–O) Theory and Calculation of Radiative Parameters 21 1.7.2 Nephelauxetic Effect 22 1.8 An Introduction to Upconverting Nanoparticles 22 Acknowledgments 23 References 23 2 Synthesis Protocol of Upconversion Nanoparticles 31Lakshmi Mukhopadhyay and Vineet Kumar Rai 2.1 Introduction 31 2.2 Host Matrix 32 2.3 Synthetic Strategy of UC Nanomaterials 33 2.3.1 Solid-State Reaction Technique 34 2.3.2 Coprecipitation Technique 35 2.3.3 Sol–Gel Technique 36 2.3.4 Hydro(solvo)thermal Technique 39 2.3.5 Combustion Technique 40 2.3.6 Thermolysis Technique 42 2.3.6.1 Thermolysis in OA-Based Mixed Solvents 43 2.3.6.2 Thermolysis in OM-Based Mixed Solvents 43 2.3.6.3 Thermolysis in TOPO-Based Mixed Solvents 43 2.3.7 Microwave-Assisted Synthesis Technique 44 2.4 Synthesis Techniques for Fabricating Core@shell Architectures 45 2.4.1 Solid-Phase Reaction 45 2.4.2 Liquid-Phase Reaction 46 2.4.2.1 Stöber Technique 46 2.4.2.2 Microemulsion Technique 48 2.4.3 Gas-Phase Reaction 51 2.4.4 Mechanical Mixing 52 2.5 Other Synthesis Strategies to Develop Lanthanide-Doped UCNPs 52 2.6 Conclusion 53 References 53 3 Characterization Techniques and Analysis 67Neha Jain, Prince K. Jain, Rajan K. Singh, Amit Srivastava, and Jai Singh 3.1 Introduction 67 3.2 X-Ray Diffraction (XRD) 69 3.3 X-ray Photoelectron Spectroscopy (XPS) 72 3.4 Field Emission Scanning Electron Microscopy (FESEM) 74 3.5 Transmission Electron Microscopy (TEM) 76 3.6 Energy-Dispersive X-ray Spectroscopy (EDS) 79 3.7 Thermogravimetric Analysis (TGA) 81 3.8 Ultraviolet–Visible–Near-Infrared (UV–Vis–NIR) Absorption Spectroscopy 82 3.9 Dynamic Light Scattering (DLS) 84 3.10 Photoluminescence (PL) Study 85 3.11 Pump Power-Dependent UC 87 3.12 Recognition of Emission Color and Colorimetric Theory 88 Acknowledgment 89 References 89 4 Raman and FTIR Spectroscopic Techniques and Their Applications 97Saurav K. Ojha and Animesh K. Ojha 4.1 Raman Spectroscopy 97 4.2 Fourier Transform Infrared (FTIR) Spectroscopy 99 4.2.1 FTIR in Transmission Mode 100 4.2.2 Attenuated Total Reflectance (ATR) 100 4.2.3 Diffuse Reflectance Infrared Fourier Transform Spectroscopy (drifts) 100 4.3 Applications of Raman Spectroscopy 100 4.3.1 Raman Study of Molecular Association in Hydrogen-Bonded Systems 100 4.3.2 Surface-Enhanced Raman Spectroscopy (SERS) 104 4.3.3 Resonance Raman Spectroscopy (RRS) 106 4.3.4 Raman Spectroscopy of Semiconducting, Superconducting, and Perovskite Materials 107 4.4 Applications of FTIR Spectroscopy 108 4.4.1 FTIR Spectroscopy of Semiconductor, Superconductor, Hazardous, and Perovskite Materials 108 4.5 Raman and FTIR Spectroscopy of Upconverting Nanoparticles 109 References 110 5 Fundamental Aspects of Upconverting Nanoparticles (UCNPs) Based on Their Properties 117Sushil K. Ranjan, Sasank Pattnaik, Vishab Kesarwani, and Vineet Kumar Rai 5.1 Introduction 117 5.2 Elucidation of Dynamics of UCNPs on the Basis of Fluorescence Decay Times 120 5.2.1 General Understanding of Depopulation Processes and UC Decay 120 5.2.2 Differentiating the ESA and ETU Mechanism Based on the Decay Profile 121 5.2.3 Theoretical and Experimental Approach of Understanding the Factors Affecting Upconversion Decay 123 5.3 Measurement of Quantum Yield of UCNPs 131 5.3.1 Role of Quantum Yield in Upconversion 132 5.3.2 Optical Methods of Measuring Quantum Yield of Upconverting Nanoparticles (UCNPs) 133 5.3.2.1 Relative Method of Measuring Quantum Yield 133 5.3.2.2 Absolute Method of Measuring Quantum Yield 133 5.3.2.3 Measurement of Intrinsic Quantum Yield of Lanthanide-Based Materials Using Lifetimes 134 5.3.3 Some Other Methods of Determining Quantum Yield 134 5.3.3.1 Photo-acoustic Spectroscopy (PAS) 134 5.3.3.2 Thermal Lensing (TL) Method 135 References 135 6 Frequency Upconversion in UCNPs Containing Transition Metal Ions 141Manisha Prasad and Vineet Kumar Rai 6.1 Introduction 141 6.2 Synthesis of Transition Metal Ion-Activated Luminescent Nanomaterials 143 6.3 Structural and Optical Characterizations 143 6.4 Frequency Upconversion and Its Various Mechanisms 144 6.5 Applications 144 6.6 Mechanism of Transition Metal Ions in Crystal Field 145 6.6.1 UC Mechanisms in Mn-Based System 146 6.6.2 UC Mechanisms in Mn 4+ - and Ti 2+ -Based Systems 151 6.6.3 UC Mechanisms in Cr 3+ -Based System 153 6.6.4 UC Mechanisms in the Fe 3+ -Based System 155 6.6.5 UC Mechanisms in Co 3+ - and Ni 2+ -Based System 157 6.6.6 UC Mechanisms in Cu 2+ -, Zn 2+ -, and Zr 4+ -Based System 158 6.6.7 UC Mechanisms in Nb 5+ -, Mo 3+ -, Ru-, and Ag + -Based System 160 6.6.8 UC Mechanisms in W 6+ - and Re 4+ -Based System 161 6.6.9 UC Mechanisms in Os 4+ - and Au-Based System 162 References 164 7 Frequency Upconversion in UCNPs Containing Rare-Earth Ions 171Sasank Pattnaik and Vineet Kumar Rai 7.1 Introduction 171 7.2 Familiarization with the Spectroscopic Behavior of RE 3+ Ion-Doped UCNPs 173 7.2.1 Physics of Trivalent Rare-Earth Ions 173 7.2.1.1 UC Mechanisms in Yb 3+ - and Pr 3+ -Based Systems 174 7.2.1.2 UC Mechanisms in Er-Based Systems 175 7.2.1.3 UC Mechanisms in Ho-Based Systems 177 7.2.1.4 UC Mechanisms in Tm-Based Systems 179 7.2.1.5 UC Mechanisms in Nd-Based Systems 181 7.2.1.6 Tri-Doped Systems 181 7.2.2 Color Modulation in UCNPs 184 7.2.2.1 Role of Dopant Concentration and Combination of RE 3+ Ions in Color Modulation 184 7.2.2.2 Role of Host/Dopant Combination in Color Modulation 186 7.2.2.3 Controlling the Emission Color Through Phonon Effects 186 7.2.2.4 Tuning UC Emission Using FRET 188 7.2.3 Quenching Mechanisms in UCNPs 190 7.3 Routes to Enhance Upconversion Luminescence in Nanoparticles 190 7.3.1 Dye Sensitization Techniques 191 7.3.2 Concentration Quenching Minimization 192 7.3.2.1 Suppression of Surface-Related Quenching 192 7.3.2.2 Removal of Detrimental Cross-Relaxation 193 7.3.3 Confinement of Energy Migration 194 7.3.4 Other Techniques to Enhance Upconversion Emission 195 7.3.4.1 Crystal-Phase Modification 195 7.3.4.2 Constructing an Active Core/Active Shell Strategy 195 7.3.4.3 Conjugating Surface Plasmon Resonance Technique 195 7.3.4.4 Dielectric Superlensing-Mediated Strategy 196 7.4 Technological Applications 197 7.4.1 Photonic Applications 197 7.4.1.1 Light-Emitting Diodes (LEDs) 197 7.4.1.2 Photovoltaic Applications 198 7.4.2 Bioimaging 199 7.4.3 Photo-Induced Therapeutic Applications 200 7.4.3.1 Photodynamic Therapy 201 7.4.3.2 Photothermal Therapy 201 7.4.3.3 Photoactivated Chemotherapy (PACT) 202 7.4.4 Other Emerging Applications 203 7.4.4.1 Anticounterfeiting 203 7.4.4.2 Sensing and Detection 203 7.4.4.3 Optogenetic Stimulation 205 7.4.4.4 NIR Image Vision of Mammals 205 References 206 8 Smart Upconverting Nanoparticles and New Types of Upconverting Nanoparticles 221Akhilesh K. Singh 8.1 Introduction 221 8.2 Upconverting Core–Shell Nanostructures 222 8.3 Hybrid Upconverting Nanoparticles 224 8.4 Magnetic Upconverting Nanoparticles 226 8.5 UC-Based Metal–Organic Frameworks 228 8.6 Smart UCNPs for Security Applications 230 8.7 Smart Upconverting Nanoparticles for Biological Applications 233 8.8 Smart Upconverting Nanoparticles for Sensing 235 8.9 Conclusion 236 References 237 9 Surface Modification and (Bio)Functionalization of Upconverting Nanoparticles 241Yashashchandra Dwivedi 9.1 Introduction 241 9.2 Upconverting Nanomaterials 242 9.3 Surface Modification 245 9.4 Biofunctionalization of Upconverting Materials and Applications 247 References 257 10 Frequency Upconversion in Core@shell Nanoparticles 267Raghumani S. Ningthoujam, Rashmi Joshi, and Manas Srivastava 10.1 Introduction 267 10.1.1 Downconversion 267 10.1.2 Upconversion 271 10.2 Synthesis of Core@shell and Core@shell@shell UCNPs 272 10.2.1 Thermolysis Method 272 10.2.2 Hot Injection 276 10.2.3 Cation Exchange 277 10.2.4 Structural Characterizations 277 10.2.5 Optical Characterization 281 10.2.5.1 Normal Conversion Process in Ln-Doped Core@shell Nanoparticles 283 10.2.5.2 Loop-Type and Avalanche-Type Upconversion Processes in Core@shell Nanoparticles 289 10.3 Frequency Upconversion and Its Various Mechanisms 291 10.3.1 Inorganic-Based Upconversion 291 10.4 Applications 297 10.4.1 Bioimaging Applications 297 10.4.1.1 Luminescence-Based Imaging 297 10.4.1.2 Other Imaging Probes (MRI, CT, and SPECT) 299 10.4.2 Photothermal Therapy (PTT) 301 10.4.3 Photodynamic Therapy (PDT) 303 10.4.4 Temperature Sensor 306 10.4.5 Security Ink 308 10.5 Conclusion 310 Acknowledgment 311 References 311 11 UCNPs in Solar, Forensic, Security Ink, and Anti-counterfeiting Applications 319Kaushal Kumar, Neeraj Kumar Mishra, and Kumar Shwetabh 11.1 Introduction 319 11.2 UCNPs for Solar Cells 320 11.2.1 C-Si Solar Cells 321 11.2.2 Amorphous Silicon Solar Cells 323 11.2.3 GaAs-Based Solar Cells 324 11.2.4 Dye-Sensitized Solar Cells (DSSCs) 324 11.3 Forensic, Security Printing, and Anti-counterfeiting Applications 325 11.4 Biomedicals 331 11.4.1 Bioimaging 333 11.4.2 Biosensing 336 11.5 Display and Lighting Purposes 339 References 340 12 Application of Upconversion in Photocatalysis and Photodetectors 347Priyam Singh, Sachin Singh, and Prabhakar Singh Sunil Kumar Singh 12.1 Introduction 347 12.2 Photocatalysis 349 12.3 Photodetector 357 12.4 Conclusion 365 References 365 13 UCNPs in Lighting and Displays 375Riya Dey 13.1 Introduction 375 13.2 Major Factors that Affect the UC Emission Efficiency 375 13.3 UC Mechanisms with Rate Equations 378 13.3.1 Pump Power Dependence in the Case of Dominant ETU-Assisted Upconversion over ESA 379 13.3.2 Pump Power Dependence in the Case of Dominant ESA-Assisted Upconversion over ETU 380 13.4 UCNPs in Solid-State Laser 380 13.5 UCNPs in Solid-State Lighting and Displays 384 13.5.1 Requirements for LED Applications 384 References 388 14 Upconversion Nanoparticles in pH Sensing Applications 395Manoj Kumar Mahata, Ranjit De, and Kang Taek Lee 14.1 Introduction 395 14.2 Basic Properties of UCNPs 397 14.3 Working Principle of UCNP-Based pH Sensor 400 14.4 Photon Upconversion-Based pH Sensing Systems 401 14.4.1 Upconversion Nanoparticles as pH Sensors 401 14.4.2 Upconversion-Based pH Sensing Membranes 405 14.5 Conclusion 410 References 411 15 Upconversion Nanoparticles in Temperature Sensing and Optical Heating Applications 417Praveen K. Shahi and Shyam B. Rai 15.1 Introduction 417 15.2 Classification of Temperature Sensors: Primary and Secondary Thermometers 420 15.3 Performance of Temperature Sensors 420 15.3.1 Thermal Sensitivity 421 15.3.2 Thermal Uncertainty (δT) 421 15.3.3 Reproducibility and Repeatability 422 15.4 Temperature Sensing with Luminescence 423 15.4.1 Time-Integrated Schemes 424 15.4.1.1 Fluorescence Intensity Ratio (FIR) or Band Shape 424 15.4.1.2 Bandwidth 426 15.4.2 Lifetime Technique 427 15.5 Upconversion (UC) and UC-Based Thermal Sensor of Ln 3+ Ions 427 15.5.1 Upconversion (UC) and Upconverting Nanoparticles (UCNPs) 427 15.5.2 Single-Center UC Nanothermometers and Multicenter UC Nanothermometers 428 15.5.3 Complex Systems 430 15.6 Optical Heating 433 References 437 16 Upconverting Nanoparticles in Pollutant Degradation and Hydrogen Generation 449Wanni Wang, Zhaoyou Chu, Benjin Chen, and Haisheng Qian 16.1 Introduction 449 16.2 Degradation of Organic Pollutants 450 16.2.1 Degradation of RhB 451 16.2.2 Degradation of MB 455 16.2.3 Degradation of MO 460 16.2.4 Degradation of Various Organic Pollutants 462 16.2.5 Others 467 16.3 Degradation of Inorganic Pollutants 469 16.4 Photocatalytic Hydrogen Production 473 16.5 Conclusion 481 References 481 17 Upconverting Nanoparticles in the Detection of Fungicides and Plant Viruses 493Vishab Kesarwani and Vineet Kumar Rai 17.1 Introduction 493 17.2 Visual Detection of Fungicides 495 17.2.1 Detection Mechanisms 495 17.2.1.1 Forster Resonance Energy Transfer (FRET) 495 17.2.1.2 Inner Filter Effect (IFE) 496 17.2.1.3 Photoinduced Electron Transfer (PET) 499 17.2.1.4 Electron Exchange (EE) 500 17.2.2 Significant Works on Upconversion-Based Fungicide Detection 500 17.3 Detection of Plant Viruses 505 17.3.1 Plant Virus Detection/Management Strategies 505 17.3.1.1 Direct Interactions 505 17.3.1.2 Indirect Interactions 505 17.3.1.3 NPs as Biosensors for Virus Detection 507 17.3.1.4 RNAi Process for Antiviral Protection 507 17.3.2 Significant Works on Plant Virus Detection Based on UCNPs 507 17.4 Future Challenges Regarding NP-Based Fungicide and Plant Virus Detection 509 References 510 18 Upconversion Nanoparticles in Biological Applications 517Poulami Mukherjee and Sumanta Kumar Sahu 18.1 Introduction 517 18.2 Upconversion Nanoparticles in Bioimaging 518 18.2.1 Cell Imaging 518 18.2.2 Multimodal Imaging 520 18.3 Upconversion Nanoparticles in Drug Delivery 522 18.3.1 Different Types of Surface Modification 524 18.3.1.1 Polymer Coating 524 18.3.1.2 Silica Coating 524 18.3.1.3 Metal Oxide-Coated UCNPs 525 18.3.1.4 Functionalization of UCNPs 525 18.3.1.5 Metal–Organic Framework Coating 525 18.3.2 Drug Release 526 18.3.2.1 NIR-Triggered Drug Delivery System 526 18.3.2.2 pH and Thermoresponsive Drug Release 526 18.4 Upconversion in Photodynamic Therapy 526 18.4.1 Surface Modification of UCNPs for PDT 529 18.5 Photothermal Therapy 531 References 533 Index 539

Read more less

Book SynopsisSpectroscopy and Computation of Hydrogen-Bonded Systems Comprehensive spectroscopic view of the state-of the-art in theoretical and experimental hydrogen bonding research Spectroscopy and Computation of Hydrogen-Bonded Systems includes diverse research efforts spanning the frontiers of hydrogen bonding as revealed through state-of-the-art spectroscopic and computational methods, covering a broad range of experimental and theoretical methodologies used to investigate and understand hydrogen bonding. The work explores the key quantitative relationships between fundamental vibrational frequencies and hydrogen-bond length/strength and provides an extensive reference for the advancement of scientific knowledge on hydrogen-bonded systems. Theoretical models of vibrational landscapes in hydrogen-bonded systems, as well as kindred studies designed to interpret intricate spectral features in gaseous complexes, liquids, crystals, ices, polymers, and nanocomposites, serve to elucidate the provenance of spectroscopic findings. Results of experimental and theoretical studies on multidimensional proton transfer are also presented. Edited by two highly qualified researchers in the field, sample topics covered in Spectroscopy and Computation of Hydrogen-Bonded Systems include: Quantum-mechanical treatments of tunneling-mediated pathways and molecular-dynamics simulations of structure and dynamics in hydrogen-bonded systems Mechanisms of multiple proton-transfer pathways in hydrogen-bonded clusters and modern spectroscopic tools with synergistic quantum-chemical analyses Mechanistic investigations of deuterium kinetic isotope effects, ab initio path integral methods, and molecular-dynamics simulations Key relationships that exist between fundamental vibrational frequencies and hydrogen-bond length/strength Analogous spectroscopic and semi-empirical computational techniques examining larger hydrogen-bonded systems Reflecting the polymorphic nature of hydrogen bonding and bringing together the latest experimental and computational work in the field, Spectroscopy and Computation of Hydrogen-Bonded Systems is an essential resource for chemists and other scientists involved in projects or research that intersects with the topics covered within.Table of ContentsFundamentals 1. Quantum statistical theory of the IR spectra band profiles of weak cyclic H-bonded systems 2. Dynamic Interactions Shaping Vibrational Spectra of Hydrogen-Bonded Systems 3. Vibrational fingerprints of weak interactions from fully anharmonic computations: success and challenges 4. Dynamics of proton motion in intramolecular hydrogen bonds studies by molecular dynamics 5. On the fly molecular dynamics approach to the tunneling splitting due to intramolecular proton transfer Spectroscopy 6. Imaging hydrogen-bond structure dynamics with MeV-UED 7. Spectroscopic Signatures of Low-Barrier Hydrogen Bonding in Neutral Species 8. Excess spectroscopy of hydrogen bond 9. Intramolecular hydrogen bonding in porphyrin isomers 10. Isotope effects in hydrogen bond research 11. Atomic and molecular complexes of noble gas hydrides 12. Relevance of intramolecular interactions in shaping the potential energy surfaces and the reactivity of a series of substituted aromatic molecules 13. Hydrogen bonding studies by overtones and combinations 14. Direct observation and kinetic mapping of point-to-point proton transfer of a hydroxy-photoacid to multiple (competing) intramolecular protonation sites 15. Stories that are encoded in vibrational spectra: Obtaining insights into the spectroscopy of water from studies of ion-water complexes 16. Molecular beam microwave spectroscopic investigation of hydrogen bonds in isolation 17. IR and NMR spectral diagnostics of hydrogen bond energy and geometry 18. Far-ultraviolet spectroscopy studies of hydrogen bonds 19. Water hydrogen bond network and hydrophobic effect 20. Hydrogen-bonded chains in foldamer structure and dynamics

Read more less

Book SynopsisExplore the cutting-edge of neuromorphic technologies with applications in Artificial Intelligence In Neuromorphic Devices for Brain-Inspired Computing: Artificial Intelligence, Perception, and Robotics, a team of expert engineers delivers a comprehensive discussion of all aspects of neuromorphic electronics designed to assist researchers and professionals to understand and apply all manner of brain-inspired computing and perception technologies. The book covers both memristic and neuromorphic devices, including spintronic, multi-terminal, and neuromorphic perceptual applications. Summarizing recent progress made in five distinct configurations of brain-inspired computing, the authors explore this promising technology’s potential applications in two specific areas: neuromorphic computing systems and neuromorphic perceptual systems. The book also includes: A thorough introduction to two-terminal neuromorphic memristors, including memristive devices and resistive switching mechanisms Comprehensive explorations of spintronic neuromorphic devices and multi-terminal neuromorphic devices with cognitive behaviors Practical discussions of neuromorphic devices based on chalcogenide and organic materials In-depth examinations of neuromorphic computing and perceptual systems with emerging devices Perfect for materials scientists, biochemists, and electronics engineers, Neuromorphic Devices for Brain-Inspired Computing: Artificial Intelligence, Perception, and Robotics will also earn a place in the libraries of neurochemists, neurobiologists, and neurophysiologists.Table of Contents1: Two-terminal Neuromorphic Memristors 2: Spintronic Neuromorphic Devices 3: Multi-terminal Neuromorphic Devices with Cognitive Behaviors 4: Neuromorphic Devices based on Chalcogenide materials 5: Neuromorphic Devices Based on Organic materials 6: Neuromorphic Computing Systems with Emerging Devices 7: Neuromorphic perceptual Systems with Emerging Devices

Read more less

Book SynopsisSuper Resolution Optical Imaging and Microscopy Extremely comprehensive resource containing cutting-edge and practical knowledge of super-resolution optical imaging This book covers both the basic principles and specific technical details of super-resolution microscopy techniques. It covers the criteria to choose different fluorophores for various SRM methods and critically assesses the nitty-gritty of associated problems that are often encountered in practical applications. A progressive guide to designing the next generation of advanced fluorophores to meet the goal of advanced SR imaging studies is also put forward. Written by two well-qualified authors, the book contains exclusive content to enhance readers’ understanding on innovation of newer SRM technologies. Sample topics covered in the book include: Optical techniques, fluorescent probe design, and algorithm development Recent highlight and breakthroughs in biology using SRM methods The overall success of SRM in biological inventions The future direction and scope of the field This book is an invaluable resource for chemists and researchers/scientists involved in designing newer fluorescent materials for SRM studies. It can also assist biologists engaged in advanced biological studies using SRM by guiding them through sample preparation, image processing, and precautions to be taken in practical imaging studies.Table of ContentsPreface xi 1 Super-Resolution Microscopy (SRM): Brief Introduction 1 Zhigang Yang, Soham Samanta, and Yingchao Liu 1.1 Optical Microscopy 1 1.1.1 History and Background 1 1.2 Specialized Optical Microscopes 3 1.2.1 Inverted Microscopes 4 1.2.2 Confocal Microscopes 4 1.3 Optical Diffraction Limit 5 1.4 Super-Resolution Microscopy: Overcoming the Diffraction Limit 6 1.5 Near-Field Scanning Optical Microscopy 7 1.6 Far-Field Super-Resolution Microscopy 8 1.7 Fluorescent Probes for Super-Resolution Microscopy 9 1.8 Image Analysis Algorithms 10 1.9 Applications 11 1.10 Outline of the Content of Succeeding Chapters 11 Acknowledgment 11 References 12 2 Point Spread Function Engineering SRM 15 Wei Yan, Luwei Wang, Yinru Zhu, Jialin Wang, and Ruijie Xiang 2.1 Stimulated Emission Depletion Microscopy (STED) 15 2.1.1 Principles of STED 15 2.1.2 Three-Dimensional STED 16 2.1.3 Multi-Color and Multi-Photon STED 18 2.1.4 Strategies to Reduce STED Power 20 2.1.4.1 Time-Gated STED Technology 21 2.1.4.2 Offline Gated STED Technology 22 2.1.4.3 Phasor-Plot Analysis of STED-FLIM 23 2.1.4.4 STED Super-Resolution Imaging with Quantum Dots 24 2.1.4.5 Temporal and Spatial Modulation STED 26 2.1.4.6 STED Super-Resolution Imaging Based on Adaptive Optics 27 2.1.5 Live Cell Imaging 29 2.2 Ground State Depletion (GSD) Microscopy 32 2.2.1 Principles of GSD 32 2.2.2 Advantages and Disadvantages of GSD 33 2.2.3 Applications of GSD 34 2.3 Reversible Saturable Optical Fluorescence Transition Microscopy 34 2.3.1 Improvement in the RESOLFT System 36 2.3.1.1 Parallelized RESOLFT Microscopy 36 2.3.1.2 Two-Photon RESOLFT 37 2.3.1.3 Dual-Channel RESOLFT Imaging 37 2.3.1.4 Three-Dimensional Imaging 37 2.3.2 Fluorescent Probe for RESOLFT Microscopy 38 2.3.2.1 Early-Stage: Fluorescent Protein 38 2.3.2.2 Improvement Based on Fluorescence Dynamics 39 2.3.2.3 Improvement in Other Properties 39 2.3.2.4 Organic Fluorophores 41 2.3.3 Advances in RESOLFT Application 42 2.3.3.1 Application in Life Science 42 2.3.3.2 Application in Writing and Manufacturing at the Nanoscale 43 2.4 Conclusion 44 Acknowledgment 44 References 45 3 Single-Molecule Localization Microscopy (SMLM) 51 Danying Lin, Yingying Jing, Pengfa Chen, Zekai Wu, Zhenquan Gong, Jiao Zhang, Arup Tarai, and Xuehua Wang 3.1 Main Idea of SMLM 51 3.2 Stochastic Optical Reconstruction Microscopy (STORM) 53 3.2.1 Implementation of STORM 53 3.2.1.1 Typical Optical Setup 53 3.2.1.2 Two Key Steps 54 3.2.1.3 Derivative Forms 56 3.2.2 Key Consideration in STORM 57 3.2.3 Multi-Color STORM 59 3.2.4 Three-Dimensional STORM 61 3.2.4.1 PSF Engineering 63 3.2.4.2 Multi-Focal Plane Imaging 67 3.2.4.3 Other Methods 68 3.2.5 Live Cell STORM Imaging 69 3.3 Photo-Activated Localization Microscopy (PALM) 72 3.3.1 Basic Principle of PALM and Differences with STORM 72 3.3.2 Single-Particle Tracking PALM (sptPALM) 73 3.4 Point Accumulation for Imaging in Nanoscale Topography (paint) 75 3.4.1 Basic Principle, Advantages, and Disadvantages of PAINT 75 3.4.2 Modifications of PAINT 76 3.4.2.1 uPAINT 76 3.4.2.2 DNA-PAINT and Exchange-PAINT 76 3.5 Single-Molecule Localization Algorithms 78 3.5.1 Algebraic Algorithms 78 3.5.2 Single-Emitter Fitting Algorithms 79 3.5.3 Multi-Emitter Fitting Algorithms 80 3.5.4 CS Algorithms 82 3.5.5 Other Methods 83 3.6 Minflux 84 3.7 Conclusion 84 Acknowledgment 85 References 85 4 Fluorescence Fluctuation-Based Super-Resolution Imaging 93 Xuehua Wang and Bin Yu 4.1 Stochastic Optical Fluctuation Imaging (SOFI) 94 4.1.1 XC-SOFI 95 4.1.2 bSOFI 96 4.1.3 fSOFI 96 4.1.4 Speckle SOFI 97 4.2 Other Techniques 99 4.2.1 VISion 99 4.2.2 Bayesian Analysis of Blinking and Bleaching (3B) 99 4.2.3 Super-resolution Radial Fluctuations (SRRF) 100 4.2.4 Entropy-Based Super-Resolution Imaging (ESI) 101 4.2.5 Multiple Signal Classification Algorithm for Super-resolution Fluorescence Microscopy (MUSICAL) 102 4.3 Applications of Fluorescence Fluctuation-Based SRM Methods 102 4.4 Conclusion 103 Acknowledgment 104 References 104 5 Structured Illumination Microscopy 107 Bin Yu, Siwei Li, Faiz Wali, and Rong Xu 5.1 Introduction 107 5.2 Wide-field SIM 107 5.2.1 Basics of SIM 108 5.2.2 SR-SIM 110 5.2.2.1 Conventional Grating-Based SIM 111 5.2.2.2 Blind SIM 113 5.2.2.3 Grazing Incidence SIM (GI–SIM) 116 5.2.2.4 Hessian-SIM 117 5.2.3 Summary 118 5.3 Point-Scanning SIM 118 5.3.1 Principle of PS-SIM 119 5.3.2 PS-SIM Based on the Digital Method 121 5.3.3 PS-SIM Based on the Optical Method 123 5.3.4 Special PS-SIM 126 5.3.5 Summary 127 5.4 Conclusions and Future Prospects 128 Acknowledgement 129 References 129 6 Deep Learning-Based SR Microscopy 135 Jia Li and Jianhui Liao 6.1 Introduction 135 6.2 Fundamentals of Deep Networks 135 6.2.1 Neural Networks 136 6.2.2 Activation Function and Layers 137 6.2.2.1 Sigmoid 138 6.2.2.2 Softmax 139 6.2.2.3 Rectified Linear Unit (ReLU) 139 6.2.2.4 Leaky ReLU 140 6.2.3 Training and Data 141 6.2.3.1 Gradient Descent 141 6.2.3.2 Backpropagation 142 6.2.3.3 Data 143 6.2.4 Loss Functions 144 6.3 Deep Learning for SR Image Reconstruction 144 6.3.1 2D Reconstruction Methods 145 6.3.1.1 Convolutional Neural Networks (CNNs) 145 6.3.1.2 Convolutional Layer 146 6.3.1.3 Pooling Layer 147 6.3.1.4 Properties 147 6.3.1.5 SR Image Reconstruction with CNN 148 6.3.1.6 Generative Adversarial Networks (GANs) 149 6.3.1.7 Game Theory 150 6.3.1.8 Architecture 150 6.3.1.9 Training 150 6.3.1.10 SR Image Reconstruction with GAN 151 6.3.2 3D Reconstruction Methods 153 6.4 Challenges of Deep Learning-Based Methods 153 6.4.1 Data Limitations 154 6.4.2 Training Obstacles 154 6.4.3 Result Reliability 155 6.5 Conclusion 156 References 158 7 Fluorescent Materials for Super-Resolution Imaging 163 Zhigang Yang and Soham Samanta 7.1 Fluorescent Probes for Super-Resolution Imaging 163 7.2 Fluorescent Proteins 164 7.2.1 FPs for STED and RESOLFT Nanoscopy 164 7.2.2 FPs for SMLM-Based SRM 169 7.2.3 FPs for SIM and Other New SRM Techniques 176 7.3 Small-Molecule Fluorescent Probes 176 7.3.1 Organic Fluorescent Probes for STED 176 7.3.1.1 Rhodamine-Based Fluorescent Probes for STED Imaging 177 7.3.1.2 Diverse Fluorescent Probes for STED Imaging 179 7.3.1.3 Phosphole-Based Fluorescent Probes for STED Imaging 183 7.3.2 Organic Fluorescent Probes for SMLM 185 7.3.2.1 Xanthene/Rhodamine Dyes 185 7.3.2.2 Cyanine Dyes 191 7.3.2.3 BODIPY and Oxazine/Spiropyran Dyes 194 7.3.2.4 Other Dyes (2-dithienylethenes and Cicyanodihydrofurans) 198 7.3.3 Organic Fluorescent Probes for SIM 199 7.4 Fluorescent Metal Complexes for SRM 202 7.4.1 Fluorescent Metal Complexes for STED 202 7.4.2 Fluorescent Metal Complexes for SMLM 203 7.4.3 Fluorescent Metal Complexes for SIM 204 7.5 Fluorescent Nanomaterials (Nanoparticles/Quantum Dots/Carbon Nanotubes/Carbon Dots (CDs)/Polymers Dots) for SRM 204 7.5.1 Fluorescent Nanomaterials for STED 205 7.5.2 Organic Nanoparticles 205 7.5.3 Inorganic Nanoparticles 211 7.5.4 Fluorescent Nanomaterials for SMLM 213 7.5.5 Fluorescent Nanomaterials for SIM 216 Acknowledgment 218 References 219 8 Conclusion and Future Perspectives 229 Zhigang Yang, Soham Samanta, and Junle Qu Index 235

Read more less

Book SynopsisSodium-Ion Batteries Practice-oriented guide systematically summarizing and condensing the development, directions, potential, and core issues of sodium-ion batteries Sodium-Ion Batteries begins with an introduction to sodium-ion batteries (SIBs), including their background, development, definition, mechanism, and classification/configuration, moving on to summarize cathode and anode materials, discuss electrolyte, separator, and other key technologies and devices, and review practical applications and conclusions/prospects of sodium-ion batteries. The text promotes the idea that SIBs can be a good complement, or even a strong competitor, to more mainstream energy technologies in specific application scenarios, including but not limited to large-scale grid energy storage, distributed energy storage, and low-speed electric vehicles, by virtue of considerable advantages in cost-effectiveness compared with lithium-ion, lead-acid, and vanadium redox flow batteries. This book delves into what we have done, where we are, and how we should proceed in regards to the advancement of SIBs, in order to make the technology more applicable in real-world situations. Specific sample topics covered in Sodium-Ion Batteries include: Electrochemical test techniques, including cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy Advanced characterization techniques and theoretical calculation, covering imaging and microscopy, and the synchrotron radiation x-ray diffraction technique Designing and manufacturing SIBs, covering types of cells (cylindrical, soft-pack, and psitmatic), and design requirements for cells Performance tests and failure analysis, covering electrochemical and safety performances test, failure phenomenon, failure analysis method, and cost estimation Solid-state nuclear magnetic resonance spectroscopy, covering principles of ssNMR and shift ranges for battery materials A complete review of an exciting energy storage technology that is undergoing a crucial development stage, Sodium-Ion Batteries is an essential resource for materials scientists, inorganic and physical chemists, and all other academics, researchers, and professionals who wish to stay on the cutting edge of energy technology.Table of ContentsPreface xiii 1 Introduction 1 Jinqiang Gao, Wentao Deng, Guoqiang Zou, Hongshuai Hou, and Xiaobo Ji 1.1 Overview 1 1.2 The Birth and Development of Sodium-ion Batteries 4 References 8 2 Characteristics of Sodium-ion Batteries 11 Haoji Wang, Wentao Deng, Hongshuai Hou, Guoqiang Zou, and Xiaobo Ji 2.1 Basic Features 11 2.2 Working Principle 14 2.3 Concepts and Equations 15 2.3.1 Cell Voltage 16 2.3.1.1 Electromotive Potential 16 2.3.1.2 Theoretical Voltage EΘ 16 2.3.1.3 Open Circuit Voltage Eocv 16 2.3.1.4 Operating Voltage Ecc 16 2.3.1.5 Cutoff Voltage 16 2.3.2 Cell Capacity and Specific Capacity 17 2.3.2.1 Theoretical Capacity (Co) 17 2.3.2.2 Actual Capacity (C) 17 2.3.2.3 Rated Capacity (Cr) 18 2.3.2.4 Specific Capacity (Cm or CV) 18 2.3.3 Cell Energy and Specific Energy 18 2.3.3.1 Theoretical Energy (Wo) 18 2.3.3.2 Actual Capacity (W) 18 2.3.3.3 Specific Capacity (wM Or WV) 18 2.3.4 Cell Power and Specific Power 19 2.3.5 Charge and Discharge Rate 19 2.3.6 Constant Current Charge and Discharge 19 2.3.7 Constant Voltage Charge 19 2.3.8 Coulombic Efficiency 19 2.3.9 Energy Conversion Efficiency 20 2.3.10 Cell Internal Resistance 20 2.3.11 Cell Life 20 2.3.12 State of Charge (SOC) 20 2.3.13 Depth of Discharge (DOD) 20 2.4 Structural Composition 20 2.4.1 Cathode Materials 21 2.4.2 Anode Materials 23 2.4.3 Electrolytes 24 2.4.4 Separators, Binders, Conductive Agents, and Current Collectors 25 References 26 3 Cathode Materials of SIBs 29 Xu Gao, Wentao Deng, Guoqiang Zou, Hongshuai Hou, and Xiaobo Ji 3.1 Polyanion Cathode 30 3.1.1 Phosphates 31 3.1.1.1 Olivine-type Phosphates (NaMPO4, M=Fe, Mn, etc.) 31 3.1.1.2 NASICON-type Phosphates (Na3 M2 (PO4)3, M=Ti, V, Ni, Fe, Mn, etc.) 33 3.1.1.3 Pyrophosphate Na2 MP2 O7 35 3.1.2 Sulfates/Borates/Silicates 36 3.1.2.1 Sulfates 36 3.1.2.2 Borates 37 3.1.2.3 Silicate 37 3.1.3 Mixed Polyanions 38 3.1.3.1 Fluorophosphates 38 3.1.3.2 Mixed Phosphates 42 3.2 Oxide Cathode 43 3.2.1 Layered Transition Metal Oxides 43 3.2.1.1 Structural Classification 43 3.2.1.2 Key Issues of Layered Oxides 46 3.2.1.3 P2-type Layered Oxides 56 3.2.1.4 O3-type Layered Oxides 60 3.2.1.5 P3-type Layered Oxides 64 3.2.1.6 Mixed-phase Layered Oxides 64 3.2.2 Tunnel-type Oxides 67 3.2.2.1 NaX Mno2 67 3.2.2.2 NaX [mnm]o2 (m=ti,fe,co,etc.) 69 3.2.2.3 Tunnel Oxides for Aqueous SIBs 70 3.3 Prussian Blue and their Analogues 70 3.3.1 Prussian Blue in Non-Aqueous SIBs 72 3.3.1.1 Iron Hexacyanoferrate (FeHCF) 72 3.3.1.2 Manganese Hexacyanoferrate (MnHCF) 73 3.3.1.3 Cobalt Hexacyanoferrate (CoHCF) 75 3.3.1.4 Nickle Hexacyanoferrate (NiHCF) 75 3.3.1.5 Other Hexacyanoferrates 77 3.3.1.6 Other Metal Hexacyanometallic Compounds 77 3.3.2 Prussian Blue in Aqueous SIBs 79 3.3.2.1 Single-Redox-Center PBAs 79 3.3.2.2 Two-Redox-Center PBAs 80 3.3.2.3 All-PBA Aqueous Batteries 81 3.4 Perovskite Transition Metal Fluorides 82 3.4.1 Metal Fluorides 82 3.4.2 Sodium Metal Fluorides 84 3.5 Organic Cathode 85 3.5.1 Working Mechanism 86 3.5.2 Carbonyl Small Molecules 88 3.5.3 Conductive Polymers 89 References 90 4 Anode Materials of Sodium-ion Batteries 109 Peng Ge, Shaohui Yuan, Guoqiang Zou, Hongshuai Hou, Yue Yang, and Xiaobo Ji 4.1 Carbon-based Anode 109 4.1.1 Graphite Anode 110 4.1.2 Soft Carbon 111 4.1.3 Hard Carbon 112 4.1.3.1 The Doping of Heteroatoms 112 4.1.3.2 Structure and Morphology Designing 114 4.2 Titanium-based Anode 116 4.2.1 The Exploring of TiO2 Samples 116 4.2.2 The Exploring of TiS2 and TiSe2 Samples 117 4.2.3 The Exploring of Other Ti-based Samples 118 4.3 Conversion Anode 118 4.3.1 Co-based Samples 118 4.3.1.1 The Exploring of Co-based Oxides 118 4.3.1.2 The Exploring of Co-based Sulfides and Selenides 119 4.3.1.3 The Exploring of Co-based Phosphide 120 4.3.2 Ni-based Samples 121 4.3.2.1 The Exploring of Ni-based Oxides/Sulfides 122 4.3.2.2 The Exploring of Ni-based Selenium, Phosphide, and Other Samples 122 4.3.3 Fe-based Samples 123 4.3.3.1 The Exploring of Fe-based Oxides 124 4.3.3.2 The Exploring of Fe-based Sulfides and Selenides 124 4.3.3.3 The Exploring of Fe-based Phosphides 126 4.3.3.4 The Exploring of Other Fe-based Composites 127 4.3.4 Mo-based Samples 128 4.3.4.1 The Exploring of Mo-based Oxides 128 4.3.4.2 The Exploring of Mo-based Sulfide and Selenides 129 4.3.4.3 The Exploring of Other Mo-based Composites 130 4.3.5 Other Metal-based Samples 130 4.3.5.1 The Exploring of Zn-based Samples 130 4.3.5.2 The Exploring of Cu-based Samples 131 4.3.5.3 The Exploring of Mn-based Samples 132 4.3.5.4 The Exploring of Cr-based Composites 133 4.3.5.5 The Exploring of W-based Composites 133 4.3.5.6 The Exploring of V-based Composites 133 4.3.5.7 The Exploring of Nb-based Composites 134 4.3.5.8 The Exploring of In-based Samples 135 4.4 Metal/Alloy Anode 135 4.4.1 Sb-based Samples 135 4.4.1.1 The Exploring of Sb and Sb-based Alloy Samples 135 4.4.1.2 The Exploring of Sb-based Oxide, Sulfides, Selenium 137 4.4.2 Sn-based Samples 138 4.4.2.1 The Exploring of Sn-based Alloys and Sn@Carbon Materials 139 4.4.2.2 The Exploring of Sn-based Oxides 141 4.4.2.3 The Exploring of Sn-based Sulfides 142 4.4.2.4 The Exploring of Sn-based Selenide, Phosphide 142 4.4.3 Bi-based Samples 143 4.4.4 Ge-based Samples 145 4.4.4.1 The Exploring of Ge and the Relative Alloying Materials 145 4.4.4.2 The Exploring of Ge-based Oxides Samples 145 4.4.4.3 The Exploring of Other Ge-based Samples (GeX, X=Se, S, OH, P) 146 References 146 5 Electrolyte, Separator, Binder and Other Devices of Sodium Ion Batteries 171 Mingguang Yi, Mingjun Jing, Wentao Deng, Guoqiang Zou, Hongshuai Hou, Tianjing Wu, and Xiaobo Ji 5.1 Introduction 171 5.2 Organic Liquid Electrolytes 173 5.2.1 Physical and Chemical Properties 173 5.2.2 Organic Solvents 175 5.2.2.1 Ester-based Solvents 175 5.2.2.2 Ether-based Solvents 177 5.2.3 Electrolyte Salt 180 5.2.4 Electrolyte Additives 183 5.2.4.1 Film Formation Additives 185 5.2.4.2 Flame Retardant Additives 186 5.2.4.3 Overcharge Protection Additives 187 5.2.4.4 Additives with Other Functions 187 5.2.5 New Electrolyte Systems 188 5.3 Solid State Electrolytes 191 5.3.1 Physical and Chemical Properties 191 5.3.2 Inorganic Solid Electrolyte 192 5.3.2.1 β-alumina 192 5.3.2.2 Nasicon 193 5.3.2.3 Sulfides 194 5.3.3 Polymer Electrolyte 197 5.3.3.1 Solid Polymer Electrolytes (SPEs) 197 5.3.3.2 Gel Polymer Electrolytes (GPEs) 200 5.3.4 Composite Solid Electrolyte 203 5.3.4.1 CSEs with Passive Fillers 204 5.3.4.2 CSEs with Active Fillers 208 5.3.5 Phase Interface Between Electrode and Electrolyte 210 5.3.5.1 Solid Electrolyte Interphase (SEI) 211 5.3.5.2 Cathode Electrolyte Interphase (CEI) 214 5.4 Separator 217 5.4.1 Glass Fiber 218 5.4.2 Polyolefin Separator 218 5.4.3 Nonwoven Separator 219 5.5 Binder 220 5.5.1 Poly(vinylidene fluoride) (PVDF) 220 5.5.2 Polyacrylic Acid (PAA) 221 5.5.3 Sodium Alginate (SA) 222 5.5.4 Sodium Carboxymethyl Cellulose (CMC) 222 5.5.5 Crosslinked Binders 223 5.5.6 Conductive Binders 224 5.5.7 Self-healing Binders 225 5.6 Conductive Agent 225 5.6.1 Carbon Black 225 5.6.1.1 Acetylene Black (AB) 226 5.6.1.2 Super-P (SP) 226 5.6.1.3 Ketjen Black (KB) 227 5.6.2 Graphene 228 5.6.3 Carbon Nanofibers (CNFs) 230 5.6.4 Carbon Nanotubes (CNTs) 231 5.7 Current Collector 232 5.7.1 Metal-based Current Collector 232 5.7.2 Carbon-based Current Collector 234 5.8 Conclusion and Perspectives 236 References 238 6 Advanced Characterization Techniques and Theoretical Calculation 247 Cheng Yang, Libao Chen, Hongshuai Hou, Guoqiang Zou, Xiaobo Ji, and Zhibin Wu 6.1 Imaging and Microscopy 248 6.1.1 Fundamentals of Imaging and Microscopy 248 6.1.2 Electron Microscopy Studies of SIBs 249 6.1.3 Synchrotron X-Ray Imaging Studies of SIBs 250 6.1.4 Neutron Imaging Studies of SIBs 251 6.1.5 Scanning Probe Microscopy Studies of SIBs 254 6.1.6 Optical Microscopy Studies of SIBs 255 6.2 Synchrotron Radiation X-Ray Diffraction Technique 256 6.2.1 Principles of XRD 256 6.2.2 Characteristics of XRD 257 6.2.3 XRD studies of SIBs 259 6.2.4 Challenges and Opportunities 262 6.3 Synchrotron Radiation X-ray Absorption Spectroscopy Technique 263 6.3.1 Principles of XAS 264 6.3.2 Characteristics of XAS 266 6.3.3 XAS Studies of SIBs 266 6.3.4 Challenges and Opportunities 268 6.4 Solid-state Nuclear Magnetic Resonance Spectroscopy 270 6.4.1 Principles of ssNMR 271 6.4.2 NMR Interactions and Shift Ranges for Battery Materials 272 6.4.2.1 Shift Interactions (Nuclear Spin−Electron Spin) 272 6.4.2.2 Dipolar Coupling (Nuclear Spin−Nuclear Spin) 273 6.4.2.3 Quadrupolar Coupling 273 6.4.3 ssNMR Studies of SIBs 273 6.4.4 The Challenge of NMR Detection 278 6.5 Electrochemical Test Techniques 279 6.5.1 Cyclic Voltammetry 279 6.5.2 Galvanostatic Charge–Discharge 281 6.5.3 Electrochemical Impedance Spectroscopy 282 6.5.4 Other Electrochemical Testing Techniques 285 6.5.5 Electrochemical Analysis of SIBs 286 6.6 Other Characterization Techniques 287 6.6.1 Neutron Diffraction Technique 287 6.6.2 Fourier Transform Infrared Spectrometry 290 6.6.3 Raman 292 6.7 Theoretical Calculation 293 6.7.1 Classical Molecular Dynamics 296 6.7.2 Ab Initio Molecular Dynamics 297 6.7.3 Machine-learning Molecular Dynamics 298 6.7.4 Applications of Theoretical Calculations 300 References 304 7 Practical Application of SIBs 311 Huanqing Liu, Wentao Deng, Hongshuai Hou, Guoqiang Zou, and Xiaobo Ji 7.1 Introduction 311 7.2 Commercial Sodium Battery 311 7.2.1 High-Temperature Na–S Battery 312 7.2.2 Sodium–Nickel Chloride Battery 313 7.3 Design and Manufacture Process of SIBs 314 7.3.1 Laboratory Button Battery Assembly 314 7.3.1.1 Metal Na Anode Materials 314 7.3.1.2 Button Cell Assembly Order 315 7.3.1.3 The Matching of Positive and Negative Electrodes 315 7.3.2 Type of Cell for SIBs 316 7.3.2.1 Cylindrical Battery 316 7.3.2.2 Soft-pack Battery 317 7.3.2.3 Prismatic Battery 317 7.3.3 Design Requirements for Cell 317 7.3.3.1 Basic Design Principles 318 7.3.3.2 Safety Design 318 7.3.4 Manufacturing Process of SIBs 319 7.3.4.1 Front-end Electrode Fabrication Process 319 7.3.4.2 Back-end Assembly Process 320 7.3.4.3 Formation and Sorting Process 321 7.3.4.4 Design of SIBs Pack 321 7.3.4.5 Battery Management System 321 7.4 Presodiation Techniques 322 7.4.1 EC/Chemical Methods 323 7.4.1.1 Ec 323 7.4.1.2 Chemical Methods 323 7.4.2 Self-sacrificial Additive 324 7.4.3 Other Novel Methods of Presodiation 324 7.4.4 Factors Need to be Improved 325 7.5 Performance Tests and Failure Analysis 325 7.5.1 Electrochemical Performances Test 326 7.5.2 Safety Performances Test 326 7.5.3 Failure Phenomenon 327 7.5.4 Failure Analysis Method 328 7.5.5 Cost Estimation 330 7.6 Commercial Application and Future Perspectives 332 7.6.1 Current State of Commercialization of SIBs 332 7.6.2 Application Prospect 333 7.6.2.1 Low-Speed Electric Vehicle Market 333 7.6.2.2 Large-scale ESSs 334 References 334 Index 337

Read more less

Book SynopsisTwo-Dimensional Transition-Metal Dichalcogenides Comprehensive resource covering rapid scientific and technological development of polymorphic two-dimensional transition-metal dichalcogenides (2D-TMDs) over a range of disciplines and applications Two-Dimensional Transition-Metal Dichalcogenides: Phase Engineering and Applications in Electronics and Optoelectronics provides a discussion on the history of phase engineering in 2D-TMDs as well as an in-depth treatment on the structural and electronic properties of 2D-TMDs in their respective polymorphic structures. The text addresses different forms of in-situ synthesis, phase transformation, and characterization methods for 2D-TMD materials and provides a comprehensive treatment of both the theoretical and experimental studies that have been conducted on 2D-TMDs in their respective phases. Two-Dimensional Transition-Metal Dichalcogenides includes further information on: Thermoelectric, fundamental spin-orbit structures, Weyl semi-metallic, and superconductive and related ferromagnetic properties that 2D-TMD materials possess Existing and prospective applications of 2D-TMDs in the field of electronics and optoelectronics as well as clean energy, catalysis, and memristors Magnetism and spin structures of polymorphic 2D-TMDs and further considerations on the challenges confronting the utilization of TMD-based systems Recent progress of mechanical exfoliation and the application in the study of 2D materials and other modern opportunities for progress in the field Two-Dimensional Transition-Metal Dichalcogenides provides in-depth review introducing the electronic properties of two-dimensional transition-metal dichalcogenides with updates to the phase engineering transition strategies and a diverse range of arising applications, making it an essential resource for scientists, chemists, physicists, and engineers across a wide range of disciplines.Table of ContentsPreface xi 1 Two-dimensional Transition Metal Dichalcogenides: A General Overview 1 Chi Sin Tang and Xinmao Yin 1.1 Introduction to 2D-TMDs 1 1.2 Crystal Structures of 2D-TMDs in Different Phases 2 1.2.1 Other Structural Phases 3 1.2.2 Phase Stability 4 1.3 Electronic Band Structures of 2D-TMDs 7 1.3.1 Electronic Band Structures of the 1H, 1T, and 1T ′ Phase 8 1.3.2 Indirect-to-Direct Bandgap Transition 11 1.3.3 Spin-Orbit Coupling and Its Effects and Optical Selection Rules 13 1.4 Excitons (Coulomb-Bound Electron-Hole Pairs) 15 1.4.1 Exciton Binding Energy 16 1.4.2 Excitons and Other Complex Quasiparticles 18 1.4.3 Resonant Excitons in 2D-TMDs 19 1.5 Experimental Studies and Characterization of 2D-TMDs 20 1.5.1 Synthesis of 2D-TMDs 21 1.5.1.1 Chemical Vapour Deposition 21 1.5.1.2 Molecular Beam Epitaxy 22 1.5.2 Optical Characterization 23 1.5.2.1 Photoluminescence 23 1.5.2.2 Spectroscopic Ellipsometry 25 1.5.2.3 Raman Characterization 29 1.5.3 Electronic Bandgap 35 1.5.3.1 Angle-Resolved Photoemission Spectroscopy 35 1.5.3.2 Scanning Tunneling Spectroscopy (STS) 37 1.5.4 Conclusions 40 References 40 2 Synthesis and Phase Engineering of Low-Dimensional TMDs and Related Material Structures 61 Bijun Tang, Jiefu Yang, and Zheng Liu 2.1 Introduction 61 2.2 Structure of 2D TMDs 62 2.3 Synthesis of 2D TMDs 64 2.3.1 Top-Down Method 65 2.3.2 Bottom-Up Method 66 2.4 Phase Engineering of 2D TMDs 66 2.4.1 Direct Synthesis of TMDs with Targeted Phases 68 2.4.1.1 Precursor Selection 68 2.4.1.2 Catalyst 70 2.4.1.3 Temperature Control 72 2.4.1.4 Alloying 74 2.4.2 External Factor-Induced Phase Transformation 79 2.4.2.1 Ion Intercalation 79 2.4.2.2 Thermal Treatment 81 2.5 Conclusion 82 References 83 3 Thermoelectric Properties of Polymorphic 2D-TMDs 87 H. K. Ng, Yunshan Zhao, Dongzhi Chi, and Jing Wu 3.1 Introduction to 2D Thermoelectrics 87 3.1.1 Why 2D over 3D? 88 3.1.2 Why 2D Semiconductors? 89 3.2 Thermoelectric Transport 89 3.2.1 Boltzmann Transport Equation 90 3.2.2 Scattering Parameter for Different Mechanism 92 3.2.2.1 Ionized/Charged Impurity Scattering 92 3.2.2.2 Phonons Scattering 93 3.2.2.3 Carrier–Carrier Scattering 94 3.2.2.4 Surface Roughness Scattering 95 3.3 Experimental Characterization TE in 2D 95 3.3.1 Electrical Measurements 95 3.3.1.1 FET Measurements 95 3.3.1.2 Hall Measurements 96 3.3.2 Seebeck Measurement 96 3.3.2.1 ΔT Calibration 97 3.3.2.2 V Tep Measurement 97 3.3.3 Thermal Conductivity 98 3.3.3.1 Raman Spectrometer 99 3.3.3.2 Tdtr (fdtr) 101 3.3.3.3 Thermal Bridge Method (Electron Beam Heating Technique) 102 3.3.3.4 Other Thermal Property Measurement Methods 104 3.4 Manipulation of TE Properties in 2D 106 3.4.1 Tuning of Carrier Concentration 107 3.4.2 Strain Engineering 107 3.4.3 Band Engineering 110 3.4.3.1 Layer Thickness and Band Convergence 110 3.4.4 Phase Transition 112 3.5 Future Outlook and Perspective 115 References 117 4 Emerging Electronic Properties of Polymorphic 2D-TMDs 127 Tong Yang, Zishen Wang, Jiaren Yuan, Jun Zhou, and Ming Yang 4.1 Electronic Structure and Optical Properties of 2D-TMDs 127 4.1.1 Electronic and Optical Properties of 1H-Phase 2D-TMDs 127 4.1.2 Electronic and Optical Properties of 1T-Phase 2D-TMDs 131 4.2 Polaron States of 2D-TMDs 133 4.2.1 Holstein Polarons in MoS 2 133 4.2.1.1 Experimental Characterizations of Holstein Polarons 133 4.2.1.2 Theoretical Simulations of the Spectral Functions 136 4.2.2 Asymmetric Intervalley Polaron Effects on Band Edges of 2D-TMDs 137 4.2.3 Polaron Effects on the Band Gap Size of 2D-TMDs 139 4.3 Valley Properties of 2D-TMDs 143 4.3.1 Circularly Polarized Light 147 4.3.2 External Field 148 4.3.3 Magnetic Metal Doping 148 4.3.4 Magnetic Substrate 149 4.4 Charge Density Waves of 2D-TMDs 151 4.4.1 Charge Density Waves in TMDs 151 4.4.2 Effects of CDW on Electronic Properties 154 4.4.3 Mechanisms in CDW Transitions 155 4.4.4 Manipulation of CDWs 158 4.5 Janus Structures of 2D-TMDs 159 4.5.1 Fabrication Approaches for Janus 2D TMDs 159 4.5.2 Emerging Properties of Janus 2D TMDs 160 4.5.3 Potential Applications of Janus 2D TMDs 160 4.6 Moiré Superlattices of 2D-TMDs 161 References 165 5 Magnetism and Spin Structures of Polymorphic 2D TMDs 181 Meizhuang Liu, Zuxin Chen, Jingbo Li, Yuli Huang, Kuan Eng Johnson Goh, and Andrew T. S. Wee 5.1 Two-dimensional Ferromagnetism 182 5.2 Cr-based Magnetic Materials and Device Applications 183 5.3 Polymorphic 2D Cr-based Magnetic TMDs 191 5.4 Magnetism in 2D Vanadium, Ion, Manganese Chalcogenides 200 5.5 Conclusions and Outlook 204 Acknowledgements 204 References 205 6 Recent Progress of Mechanical Exfoliation and the Application in the Study of 2D Materials 211 Yunyun Dai, Xinyu Huang, Xu Han, Jiangang Guo, Xiangfan Xu, Lei Wang, Luqi Liu, Ningning Song, Yeliang Wang, and Yuan Huang 6.1 Introduction 211 6.2 Different Ways for Preparing 2D Materials 213 6.2.1 Chemical Vapor Deposition (CVD) 213 6.2.2 Mechanical Exfoliation (ME) 213 6.3 New Mechanical Exfoliation Methods 214 6.3.1 Oxygen Plasma Enhanced Exfoliation 214 6.3.2 Gold Film Enhanced Exfoliation 218 6.4 Application of Mechanical Exfoliation Method 222 6.4.1 Electrical Properties and Devices 222 6.4.1.1 Screening of Disorders 223 6.4.1.2 Electrical Contacts of 2D Materials 225 6.4.2 Optical Properties and Photonic Devices 227 6.4.2.1 Photodetectors 227 6.4.2.2 Optical Modulators 228 6.4.2.3 Single Photon Emitters 228 6.4.3 Moiré Superlattice and Devices 230 6.4.3.1 Graphene/h-BN Moiré Superlattice 230 6.4.3.2 Twisted Graphene Moiré Superlattice 231 6.4.3.3 Twisted TMD Moiré Superlattice 231 6.4.4 Magnetic Properties and Memory Devices 232 6.4.4.1 Ferromagnetism in 2D Materials 235 6.4.4.2 Antiferromagnetism in 2D Materials 237 6.4.5 Thermal Conduction 240 6.4.6 Superconductors 244 6.4.6.1 2D Superconductors and Their Characteristics 244 6.4.6.2 Regulation Methods 247 6.5 Summary and Outlook 249 Acknowledgments 249 References 250 7 Applications of Polymorphic Two-Dimensional Transition Metal Dichalcogenides in Electronics and Optoelectronics 267 Yao Yao, Siyuan Li, Jiajia Zha, Zhuangchai Lai, Qiyuan He, Chaoliang Tan, and Hua Zhang 7.1 Field-Effect Transistors (FETs) 268 7.1.1 Homojunction-based FETs Formed by Phase Transition 269 7.1.2 Homojunction-based FETs Formed by Direct Synthesis 270 7.2 Memory and Neuromorphic Computing 272 7.3 Energy Harvesting 275 7.4 Photodetectors 277 7.5 Solar Cells 282 7.6 Perspectives 284 References 285 8 Polymorphic Two-dimensional Transition Metal Dichalcogenides: Modern Challenges and Opportunities 293 Chi Sin Tang, Xinmao Yin, and Andrew T. S. Wee 8.1 Summing up the Chapters 293 8.2 Projecting the Future: Challenges and Opportunities 295 8.3 Global Challenges and Threats 296 8.3.1 Clean and Renewable Energy Sources 297 8.3.2 Water Treatment and Access to Clean Water 299 8.3.3 Healthcare and Pandemic Intervention 302 8.3.4 Food Safety and Security 305 8.3.4.1 Agricultural Production, Sustainability, Productivity, and Protection 306 8.3.4.2 Roles of 2D-TMDs in Food Packaging and Preservation 306 8.4 Exponential Growth in Demands for Modern Computation 307 8.4.1 Deep Learning and Artificial Intelligence 307 8.4.2 Internet of Things and Data Overload 308 8.5 Conclusion 312 References 312 Index 325

Read more less

Book SynopsisFunctional Polymers for Metal-Ion Batteries Unique and useful book covering fundamental knowledge and practical applications of polymer materials in energy storage systems In Functional Polymers for Metal-Ion Batteries, the recent development and achievements of polymer-based materials are comprehensively analyzed in four directions, including electrode materials, binders, separators, and solid electrolytes, highlighting the working mechanisms, classification, design strategies, and practical applications of these polymer materials in mental-ion batteries. Specific sample topics covered in Functional Polymers for Metal-Ion Batteries include: Prominent advantages of various solid-state electrolytes, such as low flammability, easy processability, more tolerance to vibration, shock, and mechanical deformation Why and how functional polymers present opportunities to maximize energy density and pursue the sustainability of the battery industry How the application of functional polymers in metal-ion batteries helps enhance the high energy density of energy storage devices and reduce carbon footprint during production How development of functional separators could significantly lower the cost of battery manufacturing Providing a comprehensive understanding of the role of polymers in the whole configuration of metal-ion batteries from electrodes to electrolytes, Functional Polymers for Metal-Ion Batteries is an ideal resource for materials scientists, electrochemists, and polymer, solid state, and physical chemists who wish to understand the latest developments of this technology.Table of Contents1. GENERAL INTRODUCTION 2. POLYMER ELECTRODE MATERIALS IN MODERN METAL ION BATTERIES 2.1 Introduction 2.2 Classification of the polymer electrode materials 2.3 Energy Storage Mechanisms in polymer electrode materials 2.4 Molecular Engineering of polymer electrode materials 2.5 Morphological Engineering of polymer electrode Materials 2.6 Applications (LIBs, SIBs, KIBs,ZIBs, etc) 3. POLYMERIC BINDERS IN MODERN METAL ION BATTERIES 3.1 Introduction 3.2 General Binding Mechanism 3.3 Classification of Binders 3.4 Binder Properties on Electrode Fabrication 3.5 Strategies in Functionalizing Binders 3.6 Application of Binders for Different Energy Materials 4. POLYMERIC SEPARATOR IN MODERN METAL ION BATTERIES 4.1 Introduction 4.2 Functions and Requirements of Separators in a battery 4.3 Classifications of Separators 4.4 Application of Separator 5 POLYMERIC ELECTROLYTES IN MODERN METAL ION BATTERIES 5.1 Introduction 5.2 Ion transport in polymeric electrolyte 5.3 Classifications of polymeric electrolyte 5.4 Strategies in designing solid-state electrolyte 5.5 Application of polymer electrolytes in all-solid-state batteries 6 PERSPECTIVES 6.1 General advantages and challenges of polymers in modern metal ion batteries 6.2 Polymers in Lifting performance in full batteries

Read more less

Book SynopsisSchiff Base Metal Complexes Schiff bases are compounds created from a condensed amino compounds, which frequently form complexes with metal ions. They have diverse applications in biology, catalysis, material science and industry. Understanding these compounds, their properties, and the available methods for synthesizing them is a key to unlocking industrial innovation. Schiff Base Metal Complexes provides a comprehensive overview of these compounds. It introduces the compounds and their properties before discussing their various synthesizing methods. A survey of existing and potential applications gives a complete picture and makes this a crucial guide for researchers and industry professionals looking to work with Schiff base complexes. Schiff Base Metal Complexes readers will also find: A systematic and organized structure designed to make information instantly accessible Detailed coverage of thermal synthesis, photochemical synthesis, and more Challenges with different methods described in order to help readers make the correct choice for their own work Schiff Base Metal Complexes is a useful reference for organic chemists, materials scientists, and researchers or industry professionals working with organometallics.Table of ContentsPreface xi Part I Introduction 1 1 Historical Background 3 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 1.1 Introduction 3 1.2 Theories of Coordinate Bond 4 1.2.1 Valence Bond Theory 4 1.2.2 Crystal Field Theory 4 1.2.3 Molecular Orbital Theory 5 1.2.4 Ligand Field Theory 6 References 7 2 Classification 9 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 2.1 Ligands 9 2.2 Schiff Base 9 2.3 Types of Schiff Base 12 2.3.1 Salen-type Ligands 12 2.3.2 Salophen-type Ligands 12 2.3.3 Hydrazone-type Ligands 12 2.3.4 Thiosemicarbazone/Carbazone-type Ligands 13 2.3.5 Heterocyclic Schiff Bases 14 2.4 Different Bonding Modes of Schiff Bases 14 2.4.1 Monodentate 14 2.4.2 Bidentate 15 2.4.3 Tridentate 15 2.4.4 Tetradentate 16 2.4.5 Pentadentate 17 2.4.6 Hexadentate 17 References 17 3 Different Routes of Synthesis 23 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 3.1 Formation of Schiff Bases 23 3.1.1 Direct Ligand Synthesis 24 3.1.2 Template Synthesis 25 3.1.3 Rearrangement of Heterocycles (Oxazoles, Thiazoles, etc.) 26 References 26 4 Schiff Base Metal Complexes 29 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman References 34 5 Effect of Different Parameters on Schiff Base and their Metal Complex 37 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 5.1 Ionic Charge 37 5.2 Ionic Size 37 5.3 Nature of Central Metal Ions 37 5.4 Nature of the Ligand 37 5.4.1 Basic Character of the Ligand 38 5.4.2 Size and Charge of the Ligand 38 5.4.3 Concentration of Ligand 38 5.4.4 Substitution Effect 38 5.4.5 Chelating Effect 39 5.4.6 Nature of Solvent 39 5.4.7 Crystal Field Effect 39 5.4.8 Thermodynamic and Kinetic Effect 39 References 40 6 Thioether and Chiral Schiff Base 41 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 6.1 Thioether Schiff Base 41 6.2 Chiral Schiff Base 44 References 45 Part II Synthesis 53 7 General Routes of Synthesis 55 Himadri Priya Gogoi, Anmol Singh, and Pranjit Barman 7.1 Introduction 55 7.2 Mechanism of the Synthesis of Schiff Base Ligand 56 7.3 Problems Found in Conventional Method – Hydrolysis of C=NBond 59 References 59 8 Different Route of Synthesis of Schiff Base-Metal Complexes 61 Himadri Priya Gogoi, Anmol Singh, and Pranjit Barman 8.1 Introduction 61 8.2 Different Chemical Routes 61 8.2.1 Preparation of Schiff’s Bases via Aerobic Oxidative Synthesis 61 8.2.2 Synthesis of Schiff Bases via Addition of Organometallic Reagents to Cyanides 61 8.2.3 Reaction of Phenol with Nitriles to Form SB 62 8.2.4 Reaction of Metal Amides to Ketone to Form SB 63 8.2.5 Reaction of Nitroso Compounds with Active Hydrogen Compounds 63 8.2.6 Dehydrogenation of Amines 64 8.2.7 Oxidation of Metal Amines to Form SB 64 8.2.8 Reduction of Carbon–Nitrogen Compounds 65 8.2.9 Synthesis of SB from Ketals 65 8.2.10 SB Synthesis by Using Hydrazoic Acid 66 8.2.11 SB Synthesis by Using Sodium Hypochlorite 66 8.2.12 Preparation of N-metallo Imines 66 8.2.13 Preparation of N-metallo Imines (Metal = B, Al, Si, Sn) 67 8.2.13.1 Preparation of N-boryl and N-aluminum Imines 67 8.2.13.2 Preparation of N-silylimines via 67 8.2.13.3 Preparation of N-tin Imines 68 8.3 Different Methods 68 8.3.1 Classical or Conventional Method 69 8.3.2 Microwave Irradiation Method 70 8.3.3 Water as Solvent Method 71 8.3.4 Grindstone Technique 71 8.3.5 Ultrasonic Method 72 8.3.6 Green Method Using Green Catalyst 73 References 76 9 Synthesis and Mechanism of Schiff Base-Metal Complexes 79 Himadri Priya Gogoi, Anmol Singh, and Pranjit Barman 9.1 Introduction 79 9.2 Synthesis of Schiff Bases Metal Complexes 79 9.2.1 Synthesis of Ligand Followed by Complexation 79 9.2.1.1 One-Step Process or Template Synthesis 80 9.3 Synthesis of Some of the Schiff Base Metal Complexes 83 References 86 10 Synthesis and Mechanism of Chiral and Achiral Schiff Base and Their Metal Complexes 89 Himadri Priya Gogoi, Anmol Singh, and Pranjit Barman 10.1 Introduction 89 10.2 Synthesis of Chiral and Achiral SB Ligand 90 10.3 Synthesis of Chiral SB Metal Complexes 93 10.4 Chiral Schiff Bases of Titanium, Zirconium, and Vanadium 95 10.5 Chiral Schiff Bases of Main Group Metals 96 10.5.1 Manganese and Chromium Schiff Bases 97 10.5.2 Iron and Ruthenium Schiff Base Complexes 98 10.5.3 Cobalt, Nickel, Copper, and Zinc Schiff Base Complexes 98 10.5.4 Lanthanide Metal Schiff Bases 99 10.5.5 Silicon and Tin Metal Schiff Bases 99 References 102 11 Synthesis and Mechanism of Thioether: Schiff Base and Their Metal Complexes 105 Himadri Priya Gogoi, Anmol Singh, and Pranjit Barman 11.1 Introduction 105 11.2 Chemical Synthesis Procedures 106 11.2.1 Procedure for the Synthesis of Thioether-Containing Schiff Base 106 References 111 12 Computational Chemistry 113 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 12.1 Introduction 113 12.2 Application of DFT in the Field of Schiff Base and Their Metal Complexes 115 References 118 Part III Application 119 13 General Applications of Schiff Bases and Their Metal Complexes 121 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman 13.1 Catalyst 121 13.2 Biological and Medicinal Importance 122 13.2.1 Antibacterial Activity 122 13.2.2 Anticancer and Anti-inflammatory Agent 122 13.2.3 Antifungal Activity 123 13.2.4 As a Drug in a Number of Diseases 123 13.3 Coatings 123 13.4 Analytical Chemistry 123 13.5 Dyes 124 13.6 Semi-conducting Materials 124 13.7 Solar System 124 13.8 Photocatalyst 125 13.9 Polymer Chemistry 125 13.10 Agrochemical Industry 125 References 125 14 Application in Pharmacological Field 129 Parnashabari Sarkar, Sourav Sutradhar, and Biswa Nath Ghosh 14.1 Introduction 129 14.2 Antimicrobial Activity 135 14.2.1 Schiff Bases Against Gram-Positive Bacteria 135 14.2.2 Schiff Bases Against Gram-Negative Bacteria 137 14.3 Antifungal Activity of Schiff Bases 138 14.4 Anticancer Activity of Schiff Bases and Their Metal Complexes 139 14.4.1 In Vitro Activity 139 14.4.2 In Vivo Activity 140 14.5 Antidyslipidemic and Antioxidant Activity 141 14.6 Anthelmintic Activity 141 14.7 Antitubercular Activity 142 14.8 Antidepressant Activity 142 14.9 Anticonvulsant Activity 142 14.10 Antioxidant Activity 142 14.11 Antiviral Activity 143 14.12 Anti-inflammatory and Analgesic Activities 143 References 143 15 Application as Catalyst 149 Saravanan Saranya and Seenuvasan Vedachalam 15.1 Introduction 149 15.2 Coupling Reaction 149 15.3 Polymerization Reaction 151 15.4 Oxidation Reaction 152 15.5 Epoxidation Reaction 153 15.6 Ring-Opening Epoxidation Reaction 154 15.7 Cyclopropanation Reaction 155 15.8 Hydrosilylation Reaction 156 15.9 Hydrogenation Reaction 157 15.10 Aldol Reaction 158 15.11 Michael Addition Reaction 159 15.12 Annulation Reaction 160 15.13 Diels–Alder Reaction 161 15.14 Click Reaction 161 15.15 Mannich Reaction 162 15.16 Ene Reaction 163 15.17 Summary 164 References 164 16 Application as Drug-Delivery System 169 Anmol Singh, Himadri Priya Gogoi, and Pranjit Barman References 173 17 Chemosensors/Bioimaging Applications 179 K. Sekar, K. Suganya Devi, T. Dheepa, and P. Srinivasan 17.1 Introduction 179 17.1.1 Chemosensing 179 17.1.1.1 Explosives Sensing 179 17.1.1.2 Oxygen Sensing 180 17.1.1.3 High pH Sensing 180 17.1.1.4 Other Porphyrinoid-based Chemosensors and Chemodosimeters 180 17.1.1.5 Metal Sensing 180 17.2 Chemosensors 181 17.2.1 Fluorescence ON-OFF 184 17.2.1.1 Tiny Molecules Chemosensors 184 17.2.1.2 Supramolecular Chemosensors 184 17.2.1.3 QDs-based Chemosensors 184 17.2.1.4 Fluorescent Nanomaterial-based Chemosensors 185 17.2.2 OFF-ON Chemosensors 185 17.2.2.1 Rhodamine-based Sensors 185 17.2.2.2 Coumarin-based Sensors 186 17.2.2.3 BODIPY-based Sensors 186 17.2.3 Ratiometric Fluorescent Chemosensors 186 17.2.3.1 Pyrene-based Chemosensors 186 17.2.3.2 Fluorophore Hybridization Chemosensors 186 17.2.3.3 Dual-emission Fluorescent Nanoparticles 186 17.2.4 Rhodamine-based Sensors 187 17.2.4.1 Fluorescent Bioimaging of CK in HeLa cells 187 17.2.4.2 Mice Bioimaging Experiments 187 17.2.5 Fluorescent Chemosensor for AcO − Detection 189 17.2.6 CN − and Al 3+ Chemosensor for Bioimaging 191 17.3 Conclusion 192 References 192 18 Application in Industrial Field 195 M. Chakkarapani, M.A. Asha Rani, G. Saravana Ilango, and Pranjit Barman 18.1 Introduction 195 18.2 Current Status in India 198 18.3 Conclusion 199 References 200 Index 203

Read more less

Book SynopsisPractical Guide to Materials Characterization Practice-oriented resource providing a hands-on overview of the most relevant materials characterization techniques in chemistry, physics, engineering, and more Practical Guide to Materials Characterization focuses on the most widely used experimental approaches for structural, morphological, and spectroscopic characterization of materials, providing background, insights on the correct usage of the respective techniques, and the interpretation of the results. With a focus on practical applications, the work illustrates what to use and when, including real-life examples showing which characterization techniques are best suited for particular purposes. Furthermore, the work covers the practical elements of the analytical techniques used to characterize a wide range of functional materials (both in bulk as well as thin film form) in a simple but thorough manner. To aid in reader comprehension, Practical Guide to Materials Characterization is divided into eight distinct chapters. To set the stage, the first chapter of the book reviews the fundamentals of materials characterization that are necessary to understand and use the methods presented in the ensuing chapters. Among the techniques covered are X-ray diffraction, Raman spectroscopy, X-ray spectroscopy, electron microscopies, magnetic measurement techniques, infrared spectroscopy, and dielectric measurements. Specific sample topics covered in the remaining seven chapters include: Bragg’s Law, the Von Laue Treatment, Laue’s Equation, the Rotating Crystal Method, the Powder Method, orientation of single crystals, and structure of polycrystalline aggregates Classical theory of Raman scattering, quantum theory of Raman spectroscopy, high-pressure Raman spectroscopy, and surface enhanced Raman spectroscopy Basic principles of XAS, energy referencing, XPS spectra and its features, Auger Electron Spectroscopy (AES), and interaction of electrons with matter Magnetization measuring instruments, the SQUID magnetometer, and the advantages and disadvantages of vibrating sample magnetometer (VSM) With comprehensive and in-depth coverage of the subject, Practical Guide to Materials Characterization is a key resource for practicing professionals who wish to better understand key concepts in the field and seamlessly harness them in a myriad of applications across many different industries.Table of ContentsChapter 1: Basics of Material Characterization Techniques 1.1 Introduction 1.2 Electromagnetic Spectrum and Characteristics 1.3 Production of different Radiations 1.4 Optical Properties 1.4.1 Reflection 1.4.2 Refraction 1.4.3 Absorption 1.4.4 Transmittance 1.4.5 Diffraction 1.4.6 Interference 1.4.7 Dispersion 1.5 Fundamentals of Crystallography 1.6 Molecular Motions and Vibration 1.7 Electron Imaging 1.8 Magnetism in Solids 1.8.1 Magnetic Terminology 1.8.2 Types of Magnetism 1.9 Dielectric Constant and Dielectric Loss: Definition References Chapter 2: X-Ray Diffraction 2.1 Introduction 2.2 Bragg's law 2.3 Von Laue Treatment: Laue's Equation 2.4 Experimental Techniques 2.5 Geometry and Instrumentation 2.6 Standard X-ray Diffraction Pattern 2.7 Applications References Chapter 3: Raman Spectroscopy 3.1 Introduction 3.2 Classical theory of Raman Scattering 3.3 Quantum theory of Raman Scattering 3.4 Raman Spectrometer 3.5 Special Techniques 3.6 Resonance Raman Scattering 3.7 Applications References Chapter 4: X-ray Spectroscopic Techniques 4.1 X-Ray Absorption Spectroscopy (XAS) 4.1.1 Introduction 4.1.2 Basic Principle of XAS 4.1.3 Experimental Aspects 4.1.4 Experimental Setup 4.1.5 Example and Analysis 4.2 X-ray Photoelectron Spectroscopy (XPS) 4.2.1 Introduction 4.2.2 Basic Principles 4.2.3 Energy Referencing 4.2.4 Instrumentation 4.2.5 XPS Spectra and its Features 4.2.6 Example and Analysis 4.3 Auger Electron Spectroscopy (AES) 4.3.1 Introduction 4.3.2 Interactions of Electrons with Matter 4.3.3 Competition between X-ray and Auger Electron Emission 4.3.4 Auger Process 4.3.5 Kinetic Energy of Auger Electrons 4.3.6 Instrumentation 4.3.7 Auger Spectra 4.3.8 Examples and Analysis References Chapter 5: Electron Microscopy 5.1 Elastic Scattering 5.2 Inelastic Scattering 5.3 Family of Electron Microscopes 5.4 Electron diffraction 5.5 The X-ray Microscope 5.6 Transmission Electron Microscope 5.7 Scanning Electron Microscope 5.8 Scanning Transmission Electron Microscope 5.9 Examples and Analysis References Chapter 6: Magnetic Measurement Techniques 6.1 Introduction 6.2 Extraction Method 6.3 Vibrating Sample Magnetometer (VSM) 6.4 Advantages and Disadvantages of VSM 6.5 SQUID Magnetometer 6.6 Applications, Illustration and Analysis References Chapter 7: Infrared Spectroscopy 7.1 Introduction 7.2 Theoretical Concepts 7.3 Instrumentation and Sampling methods 7.4 FTIR 7.5 Examples, Illustrations and Analysis References Chapter 8: Dielectric Measurements 8.1 Introduction 8.2 Dependence of Dielectric properties on Frequency 8.3 Dependence of Dielectric properties on Temperature 8.4 Dielectric Measurement Techniques 8.5 Examples, Illustrations and Analysis References

Read more less

Book Synopsis

Read more less

Book SynopsisBiomedical Micro- and Nanorobots in Disease Treatment Comprehensive resource covering fundamentals at the micro and nano scales, technical advances in micro- and nanorobots, and their biomedical applications Biomedical Micro- and Nanorobots in Disease Treatment: Design, Preparation, and Applications provides foundational knowledge on the subject in the fields of biomaterials, nanotechnology, and biomedicine, discusses the applications of micro- and nanorobots in the cardiovascular, cancer, ophthalmic, orthopedic, gastrointestinal, and nervous system disease treatment, and addresses their biosafety, autonomous motion behavior, and future development trends. The two highly qualified authors comprehensively and systematically introduces the concept source, definition, classification, autonomous movement behavior, and functionality of the technology, providing readers with new ideas, technologies, and methods for modern biomedical research, while also expanding new disease diagnosis, treatment principles, and possible application modes to paint a complete picture of the potential of the technology. Sample topics covered in Biomedical Micro- and Nanorobots in Disease Treatment: Design, Preparation, and Applications include: Substrate selection between metal, inorganic, organic, natural, and hybrid materials, as well as driving systems based on biological components, external fields, and chemical reactions In vivo tracking technologies, including fluorescence imaging, magnetic resonance imaging (MRI), radionuclide and ultrasonic imaging, and other imaging methods Biosafety of micro- and nanorobot substrate through material composition, micro- and nanoscale influence, ultimate destiny, and genotoxicity Trending behavior mechanisms in magnetotactic, phototactic, and chemotaxis systems, and motion control through speed and direction control modes Study on therapeutic mechanism and application for various physiological diseases Summarizing research progress in the preparation, biosafety, functionality, and therapeutic effects of the technology, Biomedical Micro- and Nanorobots in Disease Treatment: Design, Preparation, and Applications is an important and timely resource for biochemists, materials scientists, medicinal chemists, pharmaceutical chemists, bioengineers, biotechnologists, and the greater biotechnological industry.Table of ContentsChapter 1. Introduction Chapter 2. Concept, definition and classification of biomedical micro/nanorobots Chapter 3. Design, preparation and characterization of biomedical micro/nanorobots Chapter 4. Biosafety of biomedical micro/nanorobots Chapter 5. Autonomous motion behavior of biomedical micro/nanorobots Chapter 6. Function of biomedical micro/nanorobots Chapter 7. Biomedical micro/nanorobots for cardiovascular disease treatment Chapter 8. Biomedical micro/nanorobots for cancer treatment Chapter 9. Biomedical micro/nanorobots for other diseases treatment Chapter 10. Future development trend of biomedical micro/nanorobots

Read more less

Book SynopsisPlasmonic Metal Nanostructures Firsthand insights on a unique class of optoelectronic materials, covering technologies and applications in catalysis, sensing, and spectroscopy Plasmonic Metal Nanostructures provides broad coverage of the field of plasmonic technologies, from fundamentals to real-world applications such as highly sensitive spectroscopy and surface analysis techniques, summarizing the recent progress in plasmonics and their applications, with a focus on comprehensive and authoritative discussions of fabrication and characterization of the materials and their technological uses. The text also addresses current trends and advances in materials for plasmonics, such as nanostructures with novel shapes, composite nanostructures, and thin films. Starting with an overview of optical properties in materials from macro- to micro- and nanoscale, the text then moves on to discuss the fundamentals and dielectric modifications and advanced characterization methods of plasmonic nanos

Read more less

Book SynopsisUntethered Miniature Soft Robots Reference on achieving contactless manipulation of soft robots, detailing high level concepts and perspectives and technical skills of soft robots Untethered Miniature Soft Robots: Materials, Fabrications, and Applications introduces the emerging field of miniature soft robots and summarizes the recent rapid development in the field to date, describing different types of functional materials to build miniature soft robots, such as silicone elastomer, carbon-based materials, hydrogels, liquid crystal polymer, flexible ferrofluid, and liquid metal, and covering the material properties, fabrication strategies, and functionalities in soft robots together with their underlying mechanisms. The book discusses magnetically, thermally, optically, and chemically actuated soft robots in depth, explores the many specific applications of miniature soft robots in biomedical, environmental, and electrical fields and summarizes the development of miniature soft robots based on soft matter, fabrication strategies, locomotion principles, sensing and actuation mechanisms. In closing, the text summarizes the opportunities and challenges faced by miniature soft robots, providing expert insight into the possible futures of this field. Written by four highly qualified academics, Untethered Miniature Soft Robots covers sample topics such as: Soft elastomer-based robots with programmable magnetization profiles and untethered soft robots based on template-aiding Working mechanisms of carbon-based materials, covering light-induced expansion and shrinkage, and humidity-induced deformation Designing microscale building blocks, modular assembly of building blocks based on Denavit-Hartenberg (DH) matrix, and inverse and forward design of modular morphing systems Material designs of magnetic liquid crystal elastomers (LCE) systems, multiple-stimuli responsiveness of magnetic LCE systems, and adaptive locomotion of magnetic LCE-based robots Controllable deformation and motion behaviors, as well as applications of ferrofluids droplet robots (FDRs), including cargo capturing, object sorting, liquid pumping/mixing, and liquid skin. Providing highly detailed and up-to-date coverage of the topic, Untethered Miniature Soft Robots serves as an invaluable and highly comprehensive reference for researchers working in this promising field across a variety of disciplines, including materials scientists, mechanical and electronics engineers, polymer chemists, and biochemists.Table of ContentsPreface ix 1 Introduction to Untethered Miniature Soft Robots 1 1.1 Introduction 1 1.2 Working Mechanisms of Untethered Soft Robots 2 1.2.1 Magnetic Actuation 2 1.2.2 Light Actuation 4 1.2.3 Acoustic Actuation 5 1.2.4 Thermal Actuation 6 1.2.5 Chemical Actuation 6 1.2.6 Biohybrid Actuation 7 1.3 Fabrication Methods of Untethered Soft Robots 7 1.3.1 Molding 7 1.3.2 3D Printing Techniques 10 1.3.3 Semiconductor and Microelectronic Techniques 11 1.3.4 Modular Assembly Based on Bonding Agents 12 1.4 Applications of Miniature Soft Robots 12 1.4.1 Biomedical Application 12 1.4.2 Environmental and Proprioceptive Sensing 13 1.4.3 Intelligent Electronics 15 1.4.4 Micromanipulation 16 1.5 Scope and Layout of the Book 16 1.5.1 Scope of the Book 16 1.5.2 Layout of the Book 17 2 Silicone Elastomers-Based Miniature Soft Robots 25 2.1 Introduction 25 2.2 Soft Elastomer-Based Robots with Programmable Magnetization Profiles 28 2.2.1 Untethered Soft Robots Based on Template-Aided Magnetizing 28 2.2.2 Small-Scale Soft Machines Based on Buckling Instability-Encoded Magnetization 29 2.2.3 Small-Scale Soft Machines Based on 3D Printing of Ferromagnetic Materials 32 2.2.4 3D Miniature Soft Machines Based on Bottom-up Heterogeneous Assembly 34 2.2.4.1 Voxel Fabrication and Magnetization 35 2.2.4.2 Jig-Assisted Assembly Approach 36 2.2.4.3 Demonstration of Miniature Soft Machines Fabricated by the Jig-Assisted Assembly Approach 40 2.3 Reprogrammable Soft Machines 41 2.4 Multi-Stimuli Responsive Transformation of Magneto-Elastomer Based Soft Structures 43 2.4.1 Solvent and Magnetic-Responsive Behavior of Magneto-Elastomers 44 2.4.2 Investigation of the Dynamic Transformations of Cellular Structures 47 2.5 Multimodal and Bioinspired Locomotion Adopted for Elastomer-Based Robot 50 2.6 Potential Biomedical Applications of Miniature Magnetic Soft Machines 55 2.7 Fluidic Pumping by the Magneto-Elastomers 60 2.8 Other Potential Applications of the Magneto-Elastomers 64 2.9 Summary 66 3 Carbon-Based Miniature Soft Robots with Rolled-up Concept 73 3.1 Introduction 73 3.2 The Choices of Carbon-Based Materials 74 3.3 TheWorking Mechanism of Carbon-Based Materials 76 3.3.1 Light-Induced Expansion 76 3.3.2 Light-Induced Shrinkage 81 3.3.3 Humidity-Induced Deformation 83 3.4 The Programming Shape Changes of Actuators and Their Applications 87 3.4.1 Light-Induced Local Modification 88 3.4.2 Non-light-Induced Local Modification 90 3.4.3 Self-Healing 93 3.4.4 Oriental Control of Elements in Actuators 97 3.5 Summary 99 4 Hydrogels-Based Miniature Soft Robots 107 4.1 Introduction 107 4.2 Fabrication of Reconfigurable Hydrogel Micromachines 109 4.2.1 Design and Characterization of Smart Hydrogel for 4D Printing 110 4.2.2 Reconfigurable Soft Microdevices Fabricated by Point-by-Point 4D Printing 113 4.2.3 Reconfigurable Soft Microdevices Fabricated by Asymmetric Bessel Beam 115 4.2.4 Reconfigurable Soft Microdevices Fabricated by Complex Laser Scanning Strategy 121 4.3 Modular Design of Reconfigurable Soft Robots Based on 4D Microscale Building Blocks 123 4.3.1 Designing Microscale Building Blocks 123 4.3.2 Modular Assembly of Building Blocks Based on DH Matrix 126 4.3.3 Inverse and Forward Design of Modular Morphing System 128 4.4 Application of Reconfigurable Soft Robots 130 4.4.1 pH-Responsive Microparticle and Cell Gripper 130 4.4.2 Localized Cancer Cell Treatment 132 4.5 Summary 134 5 Liquid Crystal Network and Elastomer-Based Miniature Soft Robots 141 5.1 Introduction 141 5.2 Stimuli-Responsiveness Based on Programmed Director Field 143 5.2.1 Programmed Voxelated Director Fields via Two Surface-Patterned Confining Glasses 143 5.2.2 Arbitrary Director Fields Formed via 3D Assembly 144 5.2.3 3DMicrostructures with Uniform and 2D Director Field Alignment 146 5.2.4 3D LCN Microstructures with Encoded 3D Director Field and their 3D-to-3D Shape Transformation 147 5.2.5 Thermal Shape Transformation of LCN Structures Based on 1D and 2D Voxels Assembly 149 5.2.6 Reversible 3D-to-3D Shape Transformation of the Assembled 3D LCE Structures 152 5.3 Magnetic Liquid Crystal Elastomer Composites for Miniature Machines 153 5.3.1 Material Designs of Magnetic LCE Systems 154 5.3.2 Multiple-Stimuli Responsiveness of Magnetic LCE Systems 158 5.3.3 Adaptive Locomotion of Magnetic LCE-Based Robots 161 5.4 Summary 165 6 Flexible Ferrofluid as Soft Robotic Agents 173 6.1 Introduction 173 6.2 Description of Ferrofluids 174 6.3 Deformation Behaviors of FDRs 174 6.3.1 The Influence of Magnetic Fields on the Deformation Behaviors of FDRs 175 6.3.1.1 Magnetic Fields Induced by Permanent Magnets 175 6.3.1.2 Magnetic Fields Induced by Electromagnetic Coils 181 6.3.2 The Influence of FDRs’ Parameters on their Deformation Behaviors 195 6.3.3 The Influence of Contacting Substrate on the Deformation Behaviors of FDR 197 6.4 Applications of FDRs 198 6.4.1 Cargo Capturing and Delivering 198 6.4.2 Objects Sorting 200 6.4.3 Liquid Pumping and Mixing 201 6.4.4 Liquid Skin of Soft Robots 203 6.4.5 Phase Transitional Metallic Ferrofluid-Based Gripper 206 6.5 Summary 206 7 Conclusions and Future Prospects 213 7.1 Introduction 213 7.2 Other Functional Materials Used for Miniature Soft Robots 213 7.2.1 Shape-Memory Materials 213 7.2.2 Biohybrid Materials 215 7.3 Multi-Material Integration Strategies 216 7.4 Multifunctional Integration for Miniature Soft Robots with Perception Capabilities 218 7.5 Perspectives Toward Intelligent and Autonomous Soft Robots 220 Abbreviations 223 References 224 Index 229

Read more less

Book SynopsisOrganometallic Compounds An up-to-date overview of the fundamentals, synthesis, and applications of organometallic compounds Organometallic Compounds: Synthesis, Reactions, and Applications delivers an accessible and robust introduction to the fundamentals of organometallic compounds, including their reactions, catalytic mechanisms, and modern applications, including carbon-dioxide fixation, reduction, gas adsorption and purification, drug delivery, renewable energy, and wastewater treatment. The book also covers toxicological and computational studies. The authors address the current challenges confronting researchers seeking to sustainably synthesize and process organometallic compounds and offer complete coverage on the most recent advancements in applications relating to the fields of environmental science, electronics, fossil fuels, and more. Readers will also find: Introduces to fundamentals, nomenclature, properties, and classification of organometallic compounds Discusses methods of synthesis of organometallic compounds Practical discussions of organometallic complexes of the lanthanoids and actinoids, as well as bio-organometallic chemistry Includes characterization techniques of organometallic compounds Perfect for organic, environmental, inorganic, water, and catalytic chemists, Organometallic Compounds: Synthesis, Reactions, and Applications will also benefit chemical engineers and industrial chemists.Table of ContentsTable of Contents Chapter 1:Organometallic Compounds: Fundamental Aspects Chapter 2:Nomenclature of Organometallic Compounds Chapter 3:Classification and Properties of Organometallic Compounds Chapter 4:Synthesis Methods of Organometallic Compounds Chapter 5:Metal carbonyls: Synthesis, Properties and Structure Chapter 6:Metal-Carbon Multiple Bonded Compounds Chapter 7:Metallocenes: Synthesis, Properties and Structure Chapter 8:s-complexes, pi-complexes & ¿n-CnRn carbocyclic polyenes based organometallic Compounds Chapter 9:Organometallic Complexes of the Lanthanoids and Actiniods Chapter 10:Bio-organometallic Chemistry Chapter 11:Important Reactions of Organometallic Compounds Chapter 12:Characterization Techniques of Organometallic Compounds Chapter 13:Organometallic Compounds Based Important Reagents Chapter 14:Homogeneous and Heterogeneous Catalysis by Organometallic Complexes Chapter 15:Cluster Compounds: Boranes, Heteroboranes, Metallaboranes and Metallacarboranes Chapter 16:Applications of Organometallic Compounds for Carbon-dioxide Fixation, Reduction, Gas Adsorption and Gas Purification Chapter 17:Emerging Roll of Organometallic Compounds for Drug Delivery, Renewable Energy and Waste Water Treatment Chapter 18:Toxicity of Organometallic Compounds Chapter 19:Computational Approaches in some important Organometallic Catalysis Reactions

Read more less

Book SynopsisResource on the control and safety analysis of intensified chemical processes, ranging from general methods to specific applications Control and Safety Analysis of Intensified Chemical Processes covers the basic principles of and recent developments in control and safety analysis of intensified chemical processes, ranging from dynamic simulations and safety analysis to the design and control of important processes. The text discusses general methods and tools such as dynamic simulation, control and safety analysis as well as design aspects and analysis of important applications in order to provide scientists and engineers with an understanding of the design, control and safety considerations involved in intensified chemical processes. Sample topics covered in Control and Safety Analysis of Intensified Chemical Processes include: Simulation and optimization methods, common programs and simulators for simulation and optimization, and interfacing of simulators and optimizersPrograms/simul

Read more less

Book Synopsis

Read more less

Book Synopsis

Read more less

Book Synopsis

Read more less

Book SynopsisThis comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments. Features many examples of how the methods explained can be used in materials science and engineering applications.Trade Review"This comprehensive and self-contained, one-stop source discusses phase-field methodology in a fundamental way, explaining advanced numerical techniques for solving phase-field and related continuum-field models. It also presents numerical techniques used to simulate various phenomena in a detailed, step-by-step way, such that readers can carry out their own code developments". (Breitbart.com: Business Wire , 29 November 2010)Table of ContentsPreface xi 1 Introduction 1 1.1 The Role of Microstructure Materials Science 1 1.2 Free Boundary Problems and Microstructure Evolution 2 1.3 Continuum versus Sharp Interface Descriptions 5 References 7 2 Mean Field Theory of Phase Transformations 9 2.1 Simple Lattice Models 10 2.1.1 Phase Separation in a Binary Mixture 10 2.1.2 Ising Model of Magnetism 13 2.2 Introduction to Landau Theory 17 2.2.1 Order Parameters and Phase Transformations 17 2.2.2 The Landau Free Energy Functional 18 2.2.3 Phase Transitions with a Symmetric Phase Diagram 20 2.2.4 Phase Transitions with a Nonsymmetric Phase Diagram 22 2.2.5 First-Order Transition without a Critical Point 24 References 25 3 Spatial Variations and Interfaces 27 3.1 The Ginzburg–Landau Free Energy Functional 27 3.2 Equilibrium Interfaces and Surface Tension 29 References 32 4 Nonequilibrium Dynamics 33 4.1 Driving Forces and Fluxes 34 4.2 The Diffusion Equation 34 4.3 Dynamics of Conserved Order Parameters: Model B 35 4.4 Dynamics of Nonconserved Order Parameters: Model A 38 4.5 Generic Features of Models A and B 39 4.6 Equilibrium Fluctuations of Order Parameters 40 4.6.1 Nonconserved Order Parameters 40 4.6.2 Conserved Order Parameters 42 4.7 Stability and the Formation of Second Phases 42 4.7.1 Nonconserved Order Parameters 42 4.7.2 Conserved Order Parameters 44 4.8 Interface Dynamics of Phase Field Models (Optional) 45 4.8.1 Model A 45 4.8.2 Model B 49 4.9 Numerical Methods 50 4.9.1 Fortran 90 Codes Accompanying this Book 50 4.9.2 Model A 51 4.9.3 Model B 55 References 56 5 Introduction to Phase Field Modeling: Solidification of Pure Materials 57 5.1 Solid Order Parameters 57 5.2 Free Energy Functional for Solidification 60 5.3 Single Order Parameter Theory of Solidification 61 5.4 Solidification Dynamics 63 5.4.1 Isothermal Solidification: Model A Dynamics 63 5.4.2 Anisotropy 65 5.4.3 Nonisothermal Solidification: Model C Dynamics 66 5.5 Sharp and Thin Interface Limits of Phase Field Models 68 5.6 Case Study: Thin Interface Analysis of Equation 5.30 69 5.6.1 Recasting Phase Field Equations 70 5.6.2 Effective Sharp Interface Model 71 5.7 Numerical Simulations of Model c 73 5.7.1 Discrete Equations 74 5.7.2 Boundary Conditions 76 5.7.3 Scaling and Convergence of Model 77 5.8 Properties of Dendritic Solidification in Pure Materials 80 5.8.1 Microscopic Solvability Theory 81 5.8.2 Phase Field Predictions of Dendrite Operating States 83 5.8.3 Further Study of Dendritic Growth 87 References 87 6 Phase Field Modeling of Solidification in Binary Alloys 89 6.1 Alloys and Phase Diagrams: A Quick Review 89 6.2 Microstructure Evolution in Alloys 91 6.2.1 Sharp Interface Model in One Dimension 92 6.2.2 Extension of Sharp Interface Model to Higher Dimensions 93 6.3 Phase Field Model of a Binary Alloy 95 6.3.1 Free Energy Functional 95 6.3.2 General Form of f(ᵠ, c, T) 96 6.3.3 f(ᵠ, c, T) for Isomorphous Alloys 96 6.3.4 f(ᵠ, c, T) for Eutectic Alloys 97 6.3.5 f(ᵠ, c, T) for Dilute Binary Alloys 98 6.4 Equilibrium Properties of Free Energy Functional 99 6.4.1 Simple Example of a ‘‘Toy’’ Model 100 6.4.2 Calculation of Surface Tension 101 6.5 Phase Field Dynamics 103 6.6 Thin Interface Limits of Alloy Phase Field Models 104 6.7 Case Study: Analysis of a Dilute Binary Alloy Model 106 6.7.1 Interpolation Functions for f(Φ, c) 106 6.7.2 Equilibrium Phase Diagram 107 6.7.3 Steady-State c0 and Φ0 108 6.7.4 Dynamical Equations 109 6.7.5 Thin Interface Properties of Dilute Alloy Model 111 6.7.6 Nonvariational Version of Model (optional) 112 6.7.7 Effective Sharp Interface Parameters of Nonvariational Model (optional) 113 6.8 Numerical Simulations of Dilute Alloy Phase Field Model 116 6.8.1 Discrete Equations 116 6.8.2 Convergence Properties of Model 119 6.9 Other Alloy Phase Field Formulations 121 6.9.1 Introducing Fictitious Concentrations 122 6.9.2 Formulation of Phase Field Equations 123 6.9.3 Steady-State Properties of Model and Surface Tension 124 6.9.4 Thin Interface Limit 125 6.9.5 Numerical Determination of CS and CL 126 6.10 Properties of Dendritic Solidification in Binary Alloys 127 6.10.1 Geometric Models of Directional Solidification 127 6.10.2 Spacing Selection Theories of Directional Solidification 130 6.10.3 Phase Field Simulations of Directional Solidification 132 6.10.4 The Role of Surface Tension Anisotropy 137 References 141 7 Multiple Phase Fields and Order Parameters 143 7.1 Multiorder Parameter Models 144 7.1.1 Pure Materials 144 7.1.2 Alloys 146 7.1.3 Strain Effects on Precipitation 149 7.1.4 Anisotropy 151 7.2 Multiphase Field Models 153 7.2.1 Thermodynamics 154 7.2.2 Dynamics 156 7.3 Orientational Order Parameter for Polycrystalline Modeling 157 7.3.1 Pure Materials 157 7.3.2 Alloys 162 References 163 8 Phase Field Crystal Modeling of Pure Materials 167 8.1 Generic Properties of Periodic Systems 168 8.2 Periodic Free Energies and the Swift–Hohenberg Equation 169 8.2.1 Static Analysis of the SH Equation 173 8.2.2 Dynamical Analysis of the SH Equation 175 8.3 Phase Field Crystal Modeling 181 8.4 Equilibrium Properties in a One-Mode Approximation 185 8.4.1 Three Dimensions: BCC Lattice 186 8.4.2 Two Dimensions: Triangular Rods 190 8.4.3 One-Dimensional Planes 193 8.5 Elastic Constants of PFC Model 194 8.5.1 PFC Dynamics 195 8.5.2 Vacancy Diffusion 196 8.6 Multiscale Modeling: Amplitude Expansions (Optional) 198 8.6.1 One Dimension 201 8.6.2 Two Dimensions 202 8.6.3 Three Dimensions 204 8.6.4 Rotational Invariance 205 8.6.5 Parameter Fitting 206 References 207 9 Phase Field Crystal Modeling of Binary Alloys 209 9.1 A Two-Component PFC Model for Alloys 209 9.1.1 Constant Density Approximation: Liquid 210 9.1.2 Constant Concentration Approximation: Solid 211 9.2 Simplification of Binary Model 212 9.2.1 Equilibrium Properties: Two Dimensions 214 9.2.2 Equilibrium Properties: Three Dimensions (BCC) 216 9.3 PFC Alloy Dynamics 218 9.4 Applications of the Alloy PFC Model 221 References 222 Appendices 223 Appendix A Thin Interface Limit of a Binary Alloy Phase Field Model 225 A.1 Phase Field Model 225 A.2 Curvilinear Coordinate Transformations 227 A.3 Length and Timescales 228 A.4 Matching Conditions between Outer and Inner Solutions 229 A.5 Outer Equations Satisfied by Phase Field Model 231 A.6 Inner Expansion of Phase Field Equations 233 A.6.1 Inner Expansion of Phase Field Equation (A37) at Different Orders 235 A.6.2 Inner Expansion of Concentration Equation (A38) at Different Orders 235 A.6.3 Inner Chemical Potential Expansion 236 A.7 Analysis of Inner Equations and Matching to Outer Fields 237 A.7.1 Φ(1) Phase Field Equation (A40) 237 A.7.2 Φ(1) Diffusion Equation (A43) 238 A.7.3 Φ(Ꜫ) Phase Field Equation (A41) 239 A.7.4 Φ(Ꜫ) Diffusion Equation (A44) 241 A.7.5 Φ(Ꜫ2) Phase Field Equation (A42) 244 A.7.6 Φ(Ꜫ2) Diffusion Equation (A45) 247 A.8 Summary of Results of Sections A.2–A. 7 251 A.8.1 Effective Sharp Interface Limit of Equations (A2) 251 A.8.2 Interpretation of Thin Interface Limit Correction Terms 252 A.9 Elimination of Thin Interface Correction Terms 253 A.9.1 Modifying the Phase Field Equations 254 A.9.2 Changes Due to the Altered Form of Bulk Chemical Potential 255 A.9.3 Changes Due to the Addition of Antitrapping Flux 256 A.9.4 Analysis of Modified Φ(Ꜫ) Inner Diffusion Equation 258 A.9.5 Analysis of Modified Φ(Ꜫ2) Inner Phase Field Equation 258 A.9.6 Analysis of Modified Φ(Ꜫ2) Inner Diffusion Equation 259 References 260 Appendix B Basic Numerical Algorithms for Phase Field Equations 261 B.1 Explicit Finite Difference Method for Model A 261 B.1.1 Spatial Derivatives 262 B.1.2 Time Marching 263 B.2 Explicit Finite Volume Method for Model B 264 B.2.1 Discrete Volume Integration 265 B.2.2 Time and Space Discretization 265 B.3 Stability of Time Marching Schemes 266 B.3.1 Linear Stability of Explicit Methods 267 B.3.2 Nonlinear Instability Criterion for Δt 270 B.. 3 Nonlinear Instability Criterion for Δx 272 B.3. 4 Implicit Methods 273 B. 4 Semi-Implicit Fourier Space Method 274 B. 5 Finite Element Method 276 B.5. 1 The Diffusion Equation in 1D 276 B.5. 2 The 2D Poisson Equation 281 References 285 Appendix C Miscellaneous Derivations 287 C.1 Structure Factor: Section 4.6.1 287 C.2 Transformations from Cartesian to Curvilinear Coordinates: Section A.2 288 C.3 Newtons Method for Nonlinear Algebraic Equations: Section 6.9.5 291 Index 293

Read more less

Book SynopsisThis new, updated and enlarged edition of the successful and exceptionally well-structured textbook features new chapters on such hot topics as optical angular momentum, microscopy beyond the resolution limit, metamaterials, femtocombs, and quantum cascade lasers. It provides comprehensive and coherent coverage of fundamental optics, laser physics, and important modern applications, while equally including some traditional aspects for the first time, such as the Collins integral or solid immersion lenses. Written for newcomers to the topic who will benefit from the author's ability to explain difficult theories and effects in a straightforward and readily comprehensible way.Table of ContentsPreface xix 1 Light Rays 1 1.1 Light Rays in Human Experience 1 1.2 Ray Optics 2 1.3 Reflection 2 1.4 Refraction 3 1.5 Fermat’s Principle: The Optical Path Length 5 1.6 Prisms 8 1.7 Light Rays in Wave Guides 10 1.8 Lenses and Curved Mirrors 15 1.9 Matrix Optics 17 1.10 Ray Optics and Particle Optics 23 Problems 25 2 Wave Optics 29 2.1 Electromagnetic Radiation Fields 29 2.2 Wave Types 37 2.3 Gaussian Beams 40 2.4 Vector Light: Polarization 50 2.5 Optomechanics: Mechanical Action of Light Beams 58 2.6 Diffraction 63 2.7 Fraunhofer Diffraction 67 2.8 Fresnel Diffraction 71 2.9 Beyond Gaussian Beams: Diffraction Integral and ABCD Formalism 77 Problems 77 3 Light Propagation in Matter: Interfaces, Dispersion, and Birefringence 83 3.1 Dielectric Interfaces 83 3.2 Interfaces of Conducting Materials 89 3.3 Light Pulses in Dispersive Materials 94 3.4 Anisotropic Optical Materials 103 3.5 Optical Modulators 110 Problems 119 4 Light Propagation in Structured Matter 121 4.1 Optical Wave Guides and Fibers 122 4.2 Dielectric Photonic Materials 132 4.3 Metamaterials 143 Problems 147 5 Optical Images 149 5.1 Simple Lenses 149 5.2 The Human Eye 151 5.3 Magnifying Glass and Eyepiece 152 5.4 Microscopes 154 5.5 Scanning Microscopy Methods 161 5.6 Telescopes 166 5.7 Lenses: Designs and Aberrations 169 Problems 177 6 Coherence and Interferometry 181 6.1 Young’s Double Slit 181 6.2 Coherence and Correlation 182 6.3 The Double-Slit Experiment 185 6.4 Michelson interferometer: longitudinal coherence 191 6.5 Fabry–Pérot Interferometer 197 6.6 Optical Cavities 202 6.7 Thin Optical Films 208 6.8 Holography 210 6.9 Laser Speckle (Laser Granulation) 214 Problems 216 7 Light and Matter 219 7.1 Classical Radiation Interaction 220 7.2 Two-Level Atoms 229 7.3 Stimulated and Spontaneous Radiation Processes 239 7.4 Inversion and Amplification 242 Problems 246 8 The Laser 249 8.1 The Classic System: The He–Ne Laser 251 8.2 Other Gas Lasers 261 8.3 The Workhorses: Solid-State Lasers 268 8.4 Selected Solid-State Lasers 271 8.5 Tunable Lasers with Vibronic States 279 8.6 Tunable Ring Lasers 281 Problems 283 9 Laser Dynamics 285 9.1 Basic Laser Theory 285 9.2 Laser Rate Equations 291 9.3 Threshold-Less Lasers and Micro-lasers 295 9.4 Laser Noise 298 9.5 Pulsed Lasers 305 Problems 316 10 Semiconductor Lasers 319 10.1 Semiconductors 319 10.2 Optical Properties of Semiconductors 322 10.3 The Heterostructure Laser 330 10.4 Dynamic Properties of Semiconductor Lasers 339 10.5 Laser Diodes, Diode Lasers, and Laser Systems 345 10.6 High-Power Laser Diodes 348 Problems 350 11 Sensors for Light 353 11.1 Characteristics of Optical Detectors 354 11.2 Fluctuating Optoelectronic Quantities 357 11.3 Photon Noise and Detectivity Limits 359 11.4 Thermal Detectors 364 11.5 Quantum Sensors I: Photomultiplier Tubes 366 11.6 Quantum Sensors II: Semiconductor Sensors 370 11.7 Position and Image Sensors 374 Problems 377 12 Laser Spectroscopy and Laser Cooling 379 12.1 Laser-Induced Fluorescence (LIF) 379 12.2 Absorption and Dispersion 380 12.3 The Width of Spectral Lines 382 12.4 Doppler-Free Spectroscopy 388 12.5 Light Forces 394 Problems 404 13 Coherent Light–Matter Interaction 407 13.1 Weak Coupling and Strong Coupling 407 13.2 Transient Phenomena 410 14 Photons: An Introduction to Quantum Optics 417 14.1 Does Light Exhibit Quantum Character? 417 14.2 Quantization of the Electromagnetic Field 418 14.3 Spontaneous Emission 421 14.4 Resonance Fluorescence 427 14.5 Light Fields in Quantum Optics 435 14.6 Two-Photon Optics 444 14.7 Entangled Photons 448 Problems 455 15 Nonlinear Optics I: Optical Mixing Processes 457 15.1 Charged Anharmonic Oscillators 457 15.2 Second-Order Nonlinear Susceptibility 459 15.3 Wave Propagation in Nonlinear Media 464 15.4 Frequency Doubling 466 15.5 Sum and Difference Frequency 477 15.6 Optical Parametric Oscillators 479 Problems 482 16 Nonlinear Optics II: Four-Wave Mixing 485 16.1 Frequency Tripling in Gases 485 16.2 Nonlinear Refraction Coefficient (Optical Kerr Effect) 487 16.3 Self-Phase Modulation 494 Problems 495 A Mathematics for Optics 497 A.1 Spectral Analysis of Fluctuating Measurable Quantities 497 A.2 Time Averaging Formula 502 B.1 Temporal Evolution of a Two-State System 503 B.2 Density Matrix Formalism 504 B.3 Density of States 505 Bibliography 507 Index 519

Read more less

Book SynopsisDas neue Microsoft 365 bietet die Chance für eine völlig neue Art der digitalen Zusammenarbeit. Flexibel und mobil. Neugierig geworden? Dann greifen Sie zu diesem Buch! Es legt die Grundlagen und erklärt Zusammenhänge und Hintergründe: Betreten Sie durch Microsoft Teams eine neue Welt und kommunizieren Sie punktgenau. Finden Sie heraus, wie Sie auf SharePoint und OneDrive Dateien organisieren und wie Sie mit Outlook, To Do und Planner Aufgaben überwachen. Da ganze Anwendungsszenarien - wie zum Beispiel das Onboarding von neuen Mitarbeitern - beschrieben werden, bekommen Sie eine gute Vorstellung davon, wie die einzelnen Komponenten ineinandergreifen.Table of ContentsÜber die Autoren 9 Einführung 23 Teil I: Grundlagen zu Microsoft 365 27 Kapitel 1: Arbeiten in der Cloud 29 Kapitel 2: Das Wolkenkuckucksheim – wie hängt alles zusammen? 37 Kapitel 3: Desktop – Tablet – Smartphone 55 Kapitel 4: Neue Suchroutinen 71 Kapitel 5: Sich in MS 365 und MS Teams einrichten 111 Teil II: Arbeitssituationen aus der Praxis 139 Kapitel 6: Besprechungen organisieren und moderieren 141 Kapitel 7: Zusammenarbeit in Projekten – Beispiel: Cafeteria- Renovierung 167 Kapitel 8: Ein Event vorbereiten – Beispiel: Stadtlauf 189 Kapitel 9: Einen Prozess optimieren – Beispiel: Onboarding 205 Kapitel 10: Schichten und Genehmigungen: Messeauftritt organisieren 231 Teil III: Desktop versus Web For Screen Viewing in Bpa Only 255 Kapitel 11: Office ist nicht gleich Office 257 Kapitel 12: Word: Gemeinsam besser(e) Texte schreiben 277 Kapitel 13: Excel – in der Zusammenarbeit 287 Kapitel 14: Lebendig präsentiert: PowerPoint 299 Kapitel 15: Outlook: Interessante Entwicklungen im Web 313 Kapitel 16: Ratzfatz notiert und viel mehr: OneNote 337 Teil IV: Der Top-Ten-Teil 357 Kapitel 17: Die zehn cleversten Ideen für die Arbeit mit Microsoft 365 359 Kapitel 18: Zehn nervige Ungereimtheiten 365 Kapitel 19: Zehn Fehler, die es zu vermeiden gilt 369 Kapitel 20: Zehn Stellen, wo Sie Hilfe bekommen 373 Kapitel 21: Zehn Lifehacks 379 Abbildungsverzeichnis 385 Stichwortverzeichnis 393

Read more less

Book Synopsis"… a well structured and documented book that certainly reflects the new era of logistics." Journal of the Operational Research Society (of a previous edition) Expanded edition includes new research results and numerous modifications to enhance comprehensiveness and clarity. Two new sections, a new appendix, and more than half a dozen new figures. Provides new concept for an integrated examination of logistics systems Features "reasonable" solutions requiring as little information as possibleTable of ContentsThe Use of Succinct Models and Data Summaries.- Cost.- Optimization Methods: One-to-One Distribution.- One-to-Many Distribution.- One-To-Many Distribution with Transshipments.- Many-To-Many Distribution.

Read more less

Book SynopsisSociety is complicated. But this book argues that this does not place it beyond the reach of a science that can help to explain and perhaps even to predict social behaviour. As a system made up of many interacting agents – people, groups, institutions and governments, as well as physical and technological structures such as roads and computer networks – society can be regarded as a complex system. In recent years, scientists have made great progress in understanding how such complex systems operate, ranging from animal populations to earthquakes and weather. These systems show behaviours that cannot be predicted or intuited by focusing on the individual components, but which emerge spontaneously as a consequence of their interactions: they are said to be ‘self-organized’. Attempts to direct or manage such emergent properties generally reveal that ‘top-down’ approaches, which try to dictate a particular outcome, are ineffectual, and that what is needed instead is a ‘bottom-up’ approach that aims to guide self-organization towards desirable states.This book shows how some of these ideas from the science of complexity can be applied to the study and management of social phenomena, including traffic flow, economic markets, opinion formation and the growth and structure of cities. Building on these successes, the book argues that the complex-systems view of the social sciences has now matured sufficiently for it to be possible, desirable and perhaps essential to attempt a grander objective: to integrate these efforts into a unified scheme for studying, understanding and ultimately predicting what happens in the world we have made. Such a scheme would require the mobilization and collaboration of many different research communities, and would allow society and its interactions with the physical environment to be explored through realistic models and large-scale data collection and analysis. It should enable us to find new and effective solutions to major global problems such as conflict, disease, financial instability, environmental despoliation and poverty, while avoiding unintended policy consequences. It could give us the foresight to anticipate and ameliorate crises, and to begin tackling some of the most intractable problems of the twenty-first century.Trade ReviewFrom the reviews:“Phil Ball’s little book is one of the best summaries I have come across on complexity theory and its applications. This little triumph of clarity argues that society’s problems are those of highly connected systems. … Nice gentle text. If are a newcomer to complexity sciences, then read this first.” (Urban Models + Spatial Complexity + Smart Cities, August, 2012)Table of ContentsSociety: a Complex Problem.- On the Road: Predicting traffic.- Every Move You Make: Patterns of crowd movement.- Making Your Mind Up: Norms and decisions.- Broken Windows: The spread and control of crime.- The Social Web: Networks and their failures.- Spreading It Around: Mobility, disease and epidemics.- After the Crash: Economic and financial systems.- Love Thy Neighbour: How to foster cooperation.- Living Cities: Urban development as a complex system.- The Transformation of War: Modelling modern conflict.- Towards a Living Earth Simulator: The FuturICT Project.

Read more less

Book SynopsisThis textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.Table of ContentsAb-Initio Methods.- Tight-Binding Methods.- Empirical Methods and Coarse-Graining.- Monte Carlo Methods.- Quantum Monte Carlo (QMC) Methods.

Read more less

Book SynopsisThis textbook addresses global and local environmental problems and the involvement of microorganisms in their development and remediation. In particular, methodological aspects, some of them molecular genetic, for the study of microbial communities are considered. Overall, the prominent role of microorganisms in various material cycles is presented. In addition to biochemical principles for the degradation of environmental pollutants, the use of microorganisms in environmental biotechnological processes for the purification of air, water or soil as well as in environmentally friendly production processes is discussed. The book is intended for biologists with an interest in environmental microbiological issues, but also for students of process or environmental engineering, geoecology or geology, as well as students of other environmental science disciplines. For the 3rd edition, the authors have completely revised, corrected, updated and supplemented the book.Table of ContentsGlobal Environment. Climate and microorganisms.- Microorganisms, actors in the environment.- Relationship between microbial energy production and material cycles.- Carbon cycle.- Environmental chemicals.- Microbial degradation of pollutants.- The microbial nitrogen cycle.- Cycles of sulfur, iron and manganese.- Heavy metals and other toxic inorganic ions.- Microorganisms at different sites: living conditions and adaptation strategies.- Microbial communities. Structural and functional analyses with classical approach.- Microbial communities. Structural and functional analyses with molecular biological approach.- Damage to inorganic materials by microbial activities, biocorrosion.- Biological wastewater treatment.- Biological exhaust air treatment.- Biological soil remediation.- Biological waste treatment.- Biotechnology and environmental protection.- Food for thought.

Read more less

Book Synopsis

Read more less

Book Synopsis

Read more less

Book SynopsisThe BMW brand has always stood for a dynamic driving experience and pioneering innovations - in terms of both design and technological solutions. Today BMW is the world's leading manufacturer of premium automobiles. BMW has been building fascinating automobiles for over 90 years. The slogan "Sheer Driving Pleasure" has long defined the character of the brand. It is a promise delivered on by BMW vehicles the world over day by day, and is constantly created anew by BMW developers. The publication will show the details of what makes up the BMW brand. Text and images will show and explain the innovations featured in each vehicle and how BMW created an intelligent networking between the driver, the vehicle and the environment. The publication will feature the world renowned BMW 3 series, the BMW 6 series as well of course the legendary “M” series. A special section will be devoted to the BMW motorcycles, actually the first ever vehicle produced by the company was a motorcycle. Other chapters will lay focus on BMW motorsport, the high-end engineering process, the brand itself and the advertisement of it. It all cumulates in look back at the past 100 years – from 2016 to the very first day of BMW.

Read more less

Book Synopsis

Read more less

Book SynopsisIn celebration of the 50th anniversary of the first man on the moon, this book for the first time ever looks at the artefacts left behind on the moon from the perspective of architecture. The book looks at every single mission – manned and unmanned – that has actually landed on the moon. It covers the time of the beginning of the Soviet and American space race with the landing of Luna 2 in 1959, to the present with China’s Chang’e 3 moon rover. This architectural guide differentiates itself from other scientific and edu­cational books through its abstract approach to the topic of architecture on the moon. The content does not feature science fiction, but rather the question of what exists and what implications these bizarre structures hold for the future of architecture on other planets – as these topics are quite pertinent in today’s world of the commercialization of spaceflight, with SpaceX and ­NASA planning to take humans to Mars in the next 15 years. The guide brings together authors both from the East and the West. Contributors on the ­Russian side include Galina ­Balashova, the famous archi­tect of the Soviet space program, and the expert Alexander Glushko, son of the deceased chief engineer of the ­Soviet space ­program, Valentin Glushko. Further contributions by Evangelos Kotsioris (MoMA), Brian Harvey (China), Gurbir Singh (India), and Olga Bannova (University of Houston).

Read more less

Book SynopsisFrom the point of view of a user this book covers all aspects of modern electrical drives. It is aimed at both users, who wish to understand, design, use, and maintain electrical drives, as well as specialists, technicians, engineers, and students, who wish to gain a comprehensive overview of electrical drives. Jens Weidauer and Richard Messer describe the principles of electrical drives, their design, and application, through to complex automation solutions. In the process, they introduce the entire spectrum of drive solutions available and their main applications. A special aspect is the combination of multiple drives to form a drive system, as well as the integration of drives into automation solutions. In simple and clear language, and supported with many diagrams, complex relationships are described and presented in an easy-to-understand way. The authors deliberately avoid a comprehensive mathematical treatment of their subject and instead focus on a coherent description of the active principles and relationships. As a result, the reader will be in a position to understand electrical drives as a whole and to solve drive-related problems in everyday professional life.Table of ContentsOverview Mechanical principles Electrical principles Fixed-speed and variable-speed drives with direct current motors Fixed-speed and variable-speed drives with asynchronous motors Servo drives Stepper drives Electrical drives at a glance Fieldbuses for electrical drives Process control with electrical drives Motion control EMC and electrical drives Planning electrical drives

Read more less

Book SynopsisThis book addresses both beginners and users experienced in working with automation systems. It presents the hardware components of S7-1200 and illustrates their configuration and parametrization, as well as the communication via PROFINET, PROFIBUS, AS-Interface und PtP-connections. A profound introduction into STEP 7 Basic illustrates the basics of programming and troubleshooting.Table of ContentsIntroduction into STEP 7 Basic V14 (TIA Portal) and into project handling Hardware components of S7-1200 Configuration of devices and networks Operating conditions and programming Programming in LAD, FBD and SCL Variables and data types Description of all program functions Online operation, program test, simulation with PLCSIM and diagnosis Communication via PROFINET, PROFIBUS, AS-Interface and point-to-point connections Visualization with HMI basic panels

Read more less

Book SynopsisHello, Robot. Design between Human and Machine investigates how robotics is increasingly becoming part of our everyday lives. The exhibition shows that design in its traditional function as a mediator is indispensable if robots are to become a visible reality and not just remain hidden in washing machines, cars and cash machines. The catalogue points out where we already encounter these intelligent machines and where we may come across them in the near future: in the industry, in the military and in everyday settings; at nurseries and retirement homes; in our bodies and in the cloud; when shopping and having sex; in video games and, of course, in film and literature. In a series of in-depth essays and interviews, experts such as science-fiction author Bruce Sterling or the design duo Dunne & Raby explore the question of how we deal with an environment that is rapidly becoming more digital, smarter and more autonomous. They highlight our often ambivalent relationship to new technologies and discuss the opportunities and challenges that present themselves to us as individuals and as a society in this context. In this regard, Hello, Robot. broadens the scope of the discussion to include the ethical and political questions with which we are faced today in the light of technological advances in robotics, while confronting us with the contradictions that are often found in the answers to these questions. Authors and interviewees: Bruce Sterling, Fiona Raby, Anthony Dunne, Gesche Joost, Carlo Ratti, Amelie Klein and others.

Read more less

Book SynopsisSince the firm’s founding twenty-five years ago, AKT II have forged an international practice that unifies the cultures and disciplines of architecture and structural engineering. This book is an engine for critical reflection on the scope, potential, and limits of what they have come to define as design engineering.Structured into five discursive domains—scale, variability, attitude, reverse engineering, and the craftsmanship of engineering—the book presents a robust selection of the firm’s endeavours, which together demonstrate a vast range of encounters and processes in design. Common among them is a desire to understand and reshape the boundaries of the discipline of structural engineering, along with its links to fields such as philosophy, computer science, and geography. Interlaced with the projects, texts by contributors from varying fields engage the theoretical discussions and social conditions that bind contemporary practice.Matters of Engineering Design: AKT II balances structural concerns that require an equilibrium of internal and external forces, a clear understanding of boundary conditions, and knowledge of the properties of material with the overarching challenges that society faces today, including advances in technology, changing economic orders, and ecological responsibility.With contributions by William Baker, David Basulto, Hanif Kara, Jayne Kelley, Priya Khanchandani, Adrian Lahoud, Lesley Lokko, Ibrahim Mahama, Stephen Parnell, Vicky Richardson, and Ellis Woodman.

Read more less