Catalysis Books
Royal Society of Chemistry Iron-Containing Enzymes: Versatile Catalysts of
Book SynopsisThere are many mononuclear iron containing enzymes in nature that utilize molecular oxygen and transfer one or both oxygen atoms of O2 to substrates. These enzymes catalyze many processes including the biosynthesis of hormones, the metabolism of drugs, DNA and RNA base repair and, the biosynthesis of antibiotics. Therefore, mononuclear iron containing enzymes are important intermediates in bioprocesses and have great potential in the commercial biosynthesis of specific products since they often catalyze reactions regioselectively or stereospecifically. Understanding their mechanism and function is important and will assist in searches for commercial exploitation. In recent years, advances in experimental as well as theoretical methodologies have made it possible to study the mechanism and function of these enzymes and much information on their properties has been gained. This book highlighting recent developments in the field is, therefore, a timely addition to the literature and will interest a broad readership in the fields of biochemistry, inorganic chemistry and computational chemistry. The Editors, leaders in the field of nonheme and heme iron containing monoxygenases, have filled the book with topical review chapters by leaders in the various sub-disciplines.Table of ContentsNonheme iron(IV)-oxo oxidants in enzymes: Spectroscopic properties and reactivity patterns; Heme iron(IV)-oxo oxidants in enzymes: Spectroscopic properties and reactivity patterns; Mechanism and function of taurine/ -ketoglutarate dioxygenase enzymes, an update; Mechanism and function of cysteine dioxygenase enzymes; Mechanism and function of heme peroxidase enzymes; Mechanism and function of cytochrome P450 enzymes Biomimetic studies of mononuclear nonheme iron containing oxidants; Biomimetic studies of mononuclear porphyrin containing oxidants; Density functional calibration studies on iron-containing systems; Density functional theory studies on isomerisation reactions catalyzed by cytochrome P450 enzymes Quantum mechanics/molecular mechanics studies of peroxidase enzymes; Theoretical modelling of nonheme iron containing oxidants
£132.99
Wiley-VCH Verlag GmbH Catalysis: An Integrated Textbook for Students
Book SynopsisWritten by an excellent, highly experienced and motivated team of lecturers, this textbook is based on one of the most successful courses in catalysis and as such is tried-and-tested by generations of graduate and PhD students, i.e. the Catalysis-An-Integrated-Approach (CAIA) course organized by NIOK, the Dutch Catalysis research school. It covers all essential aspects of this important topic, including homogeneous, heterogeneous and biocatalysis, but also kinetics, catalyst characterization and preparation, reactor design and engineering. The perfect source of information for graduate and PhD students in chemistry and chemical engineering, as well as for scientists wanting to refresh their knowledgeTable of ContentsPreface xiii 1 Introduction 1Leon Lefferts, Ulf Hanefeld, and Harry Bitter 1.1 A FewWords at the Beginning 1 1.2 Catalysis in a Nutshell 1 1.3 History of Catalysis 3 1.3.1 Industrial Catalysis 4 1.3.2 Environmental Catalysis 5 1.4 Integration Homo–Hetero-Biocatalysis 5 1.5 Research in Catalysis 10 1.5.1 S-Curve, Old Processes Improvement Is Knowledge Intensive 10 1.5.2 Interdependence with Other Fields 11 1.5.3 Recent and Future Issues 12 1.6 Catalysis and Integrated Approach or How to Use this Book 14 References 14 2 Heterogeneous Catalysis 15Leon Lefferts, Emiel Hensen, and Hans Niemantsverdriet 2.1 Introduction 15 2.1.1 Concept of Heterogeneous Catalysis 15 2.1.2 Applications of Heterogeneous Catalysis 16 2.1.3 Catalytic Cycle 23 2.2 Adsorption on Surfaces 23 2.2.1 Physisorption and Chemisorption 24 2.2.2 Adsorption Isotherms 26 2.2.3 Chemisorption and Chemical Bonding 28 2.2.4 Connecting Kinetic andThermodynamic Formulations 33 2.3 Surface Reactions 35 2.3.1 Reaction Mechanism and Kinetics 35 2.4 Types of Heterogeneous Catalysts 41 2.4.1 Supported Metals 41 2.4.2 Oxides and Sulfides 51 2.4.3 Solid Acid Catalysts 62 Question 1 69 Question 2 69 References 70 3 Homogeneous Catalysis 73Elisabeth Bouwman,Martin C. Feiters, and Robertus J. M. Klein Gebbink 3.1 Framework and Outline 73 3.1.1 Outline of this Chapter 73 3.1.2 Definitions and Terminology 74 3.2 Coordination and Organometallic Chemistry 75 3.2.1 Coordination Chemistry: d Orbitals, Geometries, Crystal Field Theory 75 3.2.2 σ and π donors and back-donation: CO, alkene, phosphane, H2 77 3.2.3 Organometallics: Hapticity, Metal–Alkyl/Allyl, Agostic Interaction, Carbenes 80 3.2.4 Electron Counting: Ionogenic or Donor-Pair versus Covalent or Neutral-Ligand 81 3.2.5 Effect of Binding on Ligands andMetal Ions, Stabilization of Oxidation States 83 3.3 Elementary Steps in Homogeneous Catalysis 84 3.3.1 Formation of the Active Catalyst Species 84 3.3.2 Oxidative Addition and Reductive Elimination 85 3.3.3 Migration and Elimination 87 3.3.4 Oxidative Coupling and Reductive Cleavage 90 3.3.5 Alkene or Alkyne Metathesis and σ-Bond Metathesis 90 3.3.6 Nucleophilic and Electrophilic Attack 92 3.4 Homogeneous Hydrogenation 95 3.4.1 Background and Scope 95 3.4.2 H2 DihydrideMechanism:Wilkinson’s Catalyst 96 3.4.3 H2 Monohydride Mechanism and Heterolytic Cleavage 97 3.4.4 Asymmetric Homogeneous Hydrogenation 98 3.4.5 Transfer Hydrogenation with 2-Propanol 100 3.4.6 Other Alkene Addition Reactions 102 3.5 Hydroformylation 104 3.5.1 Scope and Importance of the Reaction and Its Products 104 3.5.2 Cobalt-Catalyzed Hydroformylation 105 3.5.3 Rhodium-Catalyzed Hydroformylation 107 3.5.4 Asymmetric Hydroformylation 110 3.6 Oligomerization and Polymerization of Alkenes 112 3.6.1 Scope and Importance of Oligomerization and Polymerization 112 3.6.2 Oligomerization of Ethene (Ni, Cr) 113 3.6.3 Stereochemistry and Mechanism of Propene Polymerization 115 3.6.4 Metallocene Catalysis 117 3.6.5 Polymerization with Non-Metallocenes (Pd, Ni, Fe, Co) 118 3.7 Miscellaneous Homogeneously Catalyzed Reactions 118 3.7.1 Cross-Coupling Reactions: Pd-Catalyzed C–C Bond Formation 118 3.7.2 Metathesis Reactions 120 Question 1 (total 20 points) 122 Question 2 (total 20 points) 122 References 123 Further Reading 124 4 Biocatalysis 127Guzman Torrelo, Frank Hollmann, and Ulf Hanefeld 4.1 Introduction 127 4.2 Why Are Enzymes So Huge? 129 4.3 Classification of Enzymes 137 4.3.1 Oxidoreductases (EC 1) 139 4.3.2 Transferases (EC 2) 147 4.3.3 Hydrolases (EC 3) 147 4.3.4 Lyases (EC 4) 157 4.4 Concepts and Methods 157 4.4.1 Cofactor Regeneration Systems 158 4.4.2 Methods to Shift Unfavorable Equilibria 159 4.4.3 Two-Liquid-Phase Systems (and Related) 164 4.4.4 (Dynamic) Kinetic Resolutions and Desymmetrization 164 4.4.5 Enantiomeric Ratio E 168 4.5 Applications and Case Studies 169 4.5.1 Oxidoreductases (E.C. 1) 169 4.5.2 Transferases (EC 2) 177 4.5.3 Hydrolases (EC 3) 179 4.5.3.1 Lipases and Esterases (EC 3.1.1) 179 4.5.4 Lyases (EC 4) 181 Question 1 186 Question 2 186 Question 3 187 Question 4 188 Further Reading 188 5 Chemical Kinetics of Catalyzed Reactions 191Freek Kapteijn, Jorge Gascon, and T. Alexander Nijhuis 5.1 Introduction 191 5.2 Rate Expressions – Quasi-Steady-State Approximation and Quasi-Equilibrium Assumption 193 5.3 Adsorption Isotherms 198 5.3.1 One-Component Adsorption 198 5.3.2 Multicomponent Adsorption 199 5.3.3 Dissociative Adsorption 200 5.4 Rate Expressions – Other Models and Generalizations 200 5.5 Limiting Cases – Reactant and Product Concentrations 202 5.6 Temperature and Pressure Dependence 206 5.6.1 Transition-StateTheory 207 5.6.2 Forward Reaction – Temperature and Pressure Dependence 208 5.6.3 Forward Reaction – Limiting Cases 209 5.7 Sabatier Principle – Volcano Plot 213 5.8 Concluding Remarks 214 Notation 216 Greek 217 Subscripts 217 Superscripts 217 Question 1 217 Question 2 218 Question 3 218 References 219 6 Catalytic Reaction Engineering 221Freek Kapteijn, Jorge Gascon, and T. Alexander Nijhuis 6.1 Introduction 221 6.2 Chemical Reactors 222 6.2.1 Balance and Definitions 222 6.2.2 Batch Reactor 224 6.2.2.1 Multiple Reactions 226 6.2.3 Continuous Flow Stirred Tank Reactor (CSTR) 228 6.2.4 Plug-Flow Reactor (PFR) 231 6.2.5 Comparison between Plug-flow and CSTR reactor 233 6.3 Reaction and Mass Transport 236 6.3.1 External Mass Transfer 237 6.3.2 Internal Mass Transport 242 6.3.3 Gas–Liquid Mass Transfer 248 6.3.4 Heat Transfer 254 6.4 Criteria to Check for Transport Limitations 257 6.4.1 Numerical Checks 257 6.4.2 Experimental Checks 260 Notation 264 Greek symbols 265 Subscripts 265 Question 1 265 Question 2 266 Question 3 267 References 269 7 Characterization of Catalysts 271Guido Mul, Frank de Groot, Barbara Mojet-Mol, and Moniek Tromp 7.1 Introduction 271 7.1.1 Importance of Characterization of Catalysts 271 7.1.2 Overview of the Various Techniques 271 7.2 Techniques Based on Probe Molecules 273 7.2.1 Temperature-Programmed Techniques 273 7.2.2 Physisorption and Chemisorption 275 7.3 Electron Microscopy Techniques 280 7.4 Techniques from Ultraviolet up to Infrared Radiation 283 7.4.1 UV/Vis Spectroscopy 283 7.4.2 Infrared Spectroscopy 286 7.4.3 Raman Spectroscopy 289 7.5 Techniques Based on X-Rays 291 7.5.1 Introduction 291 7.5.2 Interaction of X-Rays with Matter 293 7.5.3 X-Ray Photoelectron Spectroscopy (XPS) 294 7.5.4 X-ray Absorption Spectroscopy (XAS) 295 7.5.5 X-Ray Scattering 299 7.5.6 X-Ray Microscopy 302 7.6 Ion Spectroscopies 303 7.7 Magnetic Resonance Spectroscopy Techniques 304 7.7.1 NMR 304 7.7.2 EPR 306 7.8 Summary 310 Question 1 310 Question 2 311 Question 3 312 References 313 8 Synthesis of Solid Supports and Catalysts 315Petra de Jongh and Krijn de Jong 8.1 Introduction 315 8.2 Support Materials 317 8.2.1 Mesoporous Metal Oxides 318 8.2.2 Ordered Microporous Materials 326 8.2.3 Carbon Materials 331 8.2.4 Shaping 333 8.3 Synthesis of Supported Catalysts 333 8.3.1 Colloidal Synthesis Routes 334 8.3.2 Chemical Vapor Deposition 335 8.3.3 Ion Adsorption 338 8.3.4 Deposition Precipitation 341 8.3.5 Co-Precipitation 345 8.3.6 Impregnation and Drying 349 Question 1 357 Question 2 357 Question 3 358 References 358 Index 361
£62.05
World Scientific Europe Ltd Introduction To Heterogeneous Catalysis
Book SynopsisCatalysis is a multidisciplinary subject. This book introduces the chemical, materials, and engineering principles of catalysis so that both MSc and PhD students with a basic but not extensive knowledge of chemistry and physics and those with a basic understanding of chemical engineering can learn more about catalysis. Examples are taken from catalytic reactions and catalysts used in the energy, petroleum, and base-chemicals industry.The second edition differs from the first edition in the way basic topics are integrated with catalytic applications. The authors introduce two new chapters: 'Cleaning of Fuels by Hydrotreating' and 'Electrocatalysis'. Hydrotreating is a very important industrial process and offers the opportunity to discuss metal sulfide catalysts. Electrocatalysis gains more and more attention because it can be used to minimize the anthropogenic CO₂ emissions. Solar, wind, and hydroelectricity can drive water electrolysis and CO₂ electroreduction and, therefore, excess renewable electricity can be stored in chemicals.Introduction to Heterogeneous Catalysis (Second Edition) is intended for a one-semester course for master and PhD students who want to learn more about the principles of catalysis. This must-read textbook will enable students to read catalysis literature without much difficulty and presents not only the basic concepts of catalysis but integrates the chemical, materials, and engineering aspects of catalysis with industry examples.
£52.25
Wiley-VCH Verlag GmbH Electrocatalysis in Balancing the Natural Carbon
Book SynopsisElectrocatalysis in Balancing the Natural Carbon Cycle Explore the potential of electrocatalysis to balance an off-kilter natural carbon cycle In Electrocatalysis in Balancing the Natural Carbon Cycle, accomplished researcher and author, Yaobing Wang, delivers a focused examination of why and how to solve the unbalance of the natural carbon cycle with electrocatalysis. The book introduces the natural carbon cycle and analyzes current bottlenecks being caused by human activities. It then examines fundamental topics, including CO2 reduction, water splitting, and small molecule (alcohols and acid) oxidation to prove the feasibility and advantages of using electrocatalysis to tune the unbalanced carbon cycle. You’ll realize modern aspects of electrocatalysis through the operando diagnostic and predictable mechanistic investigations. Further, you will be able to evaluate and manage the efficiency of the electrocatalytic reactions. The distinguished author presents a holistic view of solving an unbalanced natural carbon cycle with electrocatalysis. Readers will also benefit from the inclusion of: A thorough introduction to the natural carbon cycle and the anthropogenic carbon cycle, including inorganic carbon to organic carbon and vice versa An exploration of electrochemical catalysis processes, including water splitting and the electrochemistry CO2 reduction reaction (ECO2RR) A practical discussion of water and fuel basic redox parameters, including electrocatalytic materials and their performance evaluation in different electrocatalytic cells A perspective of the operando approaches and computational fundamentals and advances of different electrocatalytic redox reactions Perfect for electrochemists, catalytic chemists, environmental and physical chemists, and inorganic chemists, Electrocatalysis in Balancing the Natural Carbon Cycle will also earn a place in the libraries of solid state and theoretical chemists seeking a one-stop reference for all aspects of electrocatalysis in carbon cycle-related reactions.Table of ContentsPreface xv Acknowledgments xix Part I Introduction 1 1 Introduction 3 References 5 Part II Natural Carbon Cycle 7 2 Natural Carbon Cycle and Anthropogenic Carbon Cycle 9 2.1 Definition and General Process 9 2.2 From Inorganic Carbon to Organic Carbon 10 2.3 From Organic Carbon to Inorganic Carbon 11 2.4 Anthropogenic Carbon Cycle 11 2.4.1 Anthropogenic Carbon Emissions 12 2.4.2 Capture and Recycle of CO2 from the Atmosphere 13 2.4.3 Fixation and Conversion of CO2 14 2.4.3.1 Photochemical Reduction 14 2.4.3.2 Electrochemical Reduction 15 2.4.3.3 Chemical/Thermo Reforming 16 2.4.3.4 Physical Fixation 16 2.4.3.5 Anthropogenic Carbon Conversion and Emissions Via Electrochemistry 17 References 18 Part III Electrochemical Catalysis Process 21 3 Electrochemical Catalysis Processes 23 3.1 Water Splitting 23 3.1.1 Reaction Mechanism 23 3.1.1.1 Mechanism of OER 23 3.1.1.2 Mechanism of ORR 24 3.1.1.3 Mechanism of HER 26 3.1.2 General Parameters to Evaluate Water Splitting 27 3.1.2.1 Tafel Slope 27 3.1.2.2 TOF 27 3.1.2.3 Onset/Overpotential 28 3.1.2.4 Stability 28 3.1.2.5 Electrolyte 28 3.2 Electrochemistry CO2 Reduction Reaction (ECDRR) 29 3.2.1 Possible Reaction Pathways of ECDRR 29 3.2.1.1 Formation of HCOO− or HCOOH 29 3.2.1.2 Formation of CO 30 3.2.1.3 Formation of C1 Products 30 3.2.1.4 Formation of C2 Products 31 3.2.1.5 Formation of CH3COOH and CH3COO− 33 3.2.1.6 Formation of n-Propanol (C3 Product) 33 3.2.2 General Parameters to Evaluate ECDRR 34 3.2.2.1 Onset Potential 34 3.2.2.2 Faradaic Efficiency 34 3.2.2.3 Partial Current Density 34 3.2.2.4 Environmental Impact and Cost 35 3.2.2.5 Electrolytes 35 3.2.2.6 Electrochemical Cells 36 3.3 Small Organic Molecules Oxidation 36 3.3.1 The Mechanism of Electrochemistry HCOOH Oxidation 36 3.3.2 The Mechanism of Electro-oxidation of Alcohol 37 References 40 Part IV Water Splitting and Devices 43 4 Water Splitting Basic Parameter/Others 45 4.1 Composition and Exact Reactions in Different pH Solution 45 4.2 Evaluation of the Catalytic Activity 47 4.2.1 Overpotential 47 4.2.2 Tafel Slope 48 4.2.3 Stability 49 4.2.4 Faradaic Efficiency 49 4.2.5 Turnover Frequency 50 References 50 5 H2O Oxidation 53 5.1 Regular H2O Oxidation 53 5.1.1 Noble Metal Catalysts 53 5.1.2 Other Transition Metals 64 5.1.3 Other Catalysts 72 5.2 Photo-Assisted H2O Oxidation 76 5.2.1 Metal Compound-Based Catalysts 76 5.2.2 Metal–Metal Heterostructure Catalysts 80 5.2.3 Metal–Nonmetal Heterostructure Catalysts 86 References 88 6 H2O Reduction and Water Splitting Electrocatalytic Cell 91 6.1 Noble-Metal-Based HER Catalysts 91 6.2 Non-Noble Metal Catalysts 93 6.3 Water Splitting Electrocatalytic Cell 96 References 99 Part V H2 Oxidation/O2 Reduction and Device 101 7 Introduction 103 7.1 Electrocatalytic Reaction Parameters 104 7.1.1 Electrochemically Active Surface Area (ECSA) 104 7.1.1.1 Test Methods 104 7.1.2 Determination Based on the Surface Redox Reaction 104 7.1.3 Determination by Electric Double-Layer Capacitance Method 105 7.1.4 Kinetic and Exchange Current Density (jk and j0) 105 7.1.4.1 Definition 105 7.1.4.2 Calculation 106 7.1.5 Overpotential HUPD 106 7.1.6 Tafel Slope 108 7.1.7 Halfwave Potentials 108 References 108 8 Hydrogen Oxidation Reaction (HOR) 111 8.1 Mechanism for HOR 111 8.1.1 Hydrogen Bonding Energy (HBE) 111 8.1.2 Underpotential Deposition (UPD) of Hydrogen 112 8.2 Catalysts for HOR 112 8.2.1 Pt-based Materials 112 8.2.2 Pd-Based Materials 120 8.2.3 Ir-Based Materials 121 8.2.4 Rh-Based Materials 121 8.2.5 Ru-Based Materials 121 8.2.6 Non-noble Metal Materials 122 References 130 9 Oxygen Reduction Reaction (ORR) 133 9.1 Mechanism for ORR 133 9.1.1 Battery System and Damaged Electrodes 133 9.1.2 Intermediate Species 134 9.2 Catalysts in ORR 134 9.2.1 Noble Metal Materials 134 9.2.1.1 Platinum/Carbon Catalyst 138 9.2.1.2 Pd and Pt 145 9.2.2 Transition Metal Catalysts 145 9.2.3 Metal-Free Catalysts 149 9.3 Hydrogen Peroxide Synthesis 154 9.3.1 Catalysts Advances 154 9.3.1.1 Pure Metals 154 9.3.1.2 Metal Alloys 156 9.3.1.3 Carbon Materials 157 9.3.1.4 Electrodes and Reaction Cells 158 References 161 10 Fuel Cell and Metal-Air Battery 167 10.1 H2 Fuel Cell 167 10.2 Metal-Air Battery 170 10.2.1 Metal-Air Battery Structure 171 References 181 Part VI Small Organic Molecules Oxidation and Device 183 11 Introduction 185 11.1 Primary Measurement Methods and Parameters 186 11.1.1 Primary Measurement Methods 186 11.1.2 Primary Parameter 193 References 197 12 C1 Molecule Oxidation 199 12.1 Methane Oxidation 199 12.1.1 Reaction Mechanism 199 12.1.1.1 Solid–Liquid–Gas Reaction System 199 12.1.2 Acidic Media 199 12.1.3 Alkaline or Neutral Media 201 12.2 Methanol Oxidation 203 12.2.1 Reaction Thermodynamics and Mechanism 203 12.2.2 Catalyst Advances 204 12.2.2.1 Pd-Based Catalysts 204 12.2.2.2 Pt-Based Catalysts 208 12.2.2.3 Platinum-Based Nanowires 208 12.2.2.4 Platinum-Based Nanotubes 210 12.2.2.5 Platinum-Based Nanoflowers 212 12.2.2.6 Platinum-Based Nanorods 214 12.2.2.7 Platinum-Based Nanocubes 215 12.2.3 Pt–Ru System 217 12.2.4 Pt–Sn Catalysts 218 12.3 Formic Acid Oxidation 219 12.3.1 Reaction Mechanism 219 12.3.2 Catalyst Advances 220 12.3.2.1 Pd-Based Catalysts 220 12.3.2.2 Pt-Based Catalysts 223 References 226 13 C2+ Molecule Oxidation 235 13.1 Ethanol Oxidation 235 13.1.1 Reaction Mechanism 235 13.1.2 Catalyst Advances 235 13.1.2.1 Pd-Based Catalysts 235 13.1.2.2 Pt-Based Catalysts 239 13.1.2.3 Pt–Sn System 243 13.2 Glucose Oxidase 250 13.3 Ethylene Glycol Oxidation 251 13.4 Glycerol Oxidation 251 References 254 14 Fuel Cell Devices 257 14.1 Introduction 257 14.2 Types of Direct Liquid Fuel Cells 258 14.2.1 Acid and Alkaline Fuel Cells 258 14.2.2 Direct Methanol Fuel Cells (DMFCs) 260 14.2.3 Direct Ethanol Fuel Cells (DEFCs) 261 14.2.4 Direct Ethylene Glycol Fuel Cells (DEGFCs) 261 14.2.5 Direct Glycerol Fuel Cells (DGFCs) 262 14.2.6 Direct Formic Acid Fuel Cells (DFAFCs) 262 14.2.7 Direct Dimethyl Ether Fuel Cells (DDEFCs) 263 14.2.8 Other DLFCs 263 14.2.9 Challenges of DLFCs 264 14.2.10 Fuel Conversion and Cathode Flooding 264 14.2.11 Chemical Safety and By-product Production 265 14.2.12 Unproven Long-term Durability 265 References 267 Part VII CO2 Reduction and Device 271 15 Introduction 273 15.1 Basic Parameters of the CO2 Reduction Reaction 276 15.1.1 The Fundamental Parameters to Evaluate the Catalytic Activity 276 15.1.1.1 Overpotential (𝜂) 276 15.1.1.2 Faradaic Efficiency (FE) 276 15.1.1.3 Current Density ( j) 277 15.1.1.4 Energy Efficiency (EE) 277 15.1.1.5 Tafel Slope 278 15.1.2 Factors Affecting ECDRR 278 15.1.2.1 Solvent/Electrolyte 278 15.1.2.2 pH 280 15.1.2.3 Cations and Anions 281 15.1.2.4 Concentration 282 15.1.2.5 Temperature and Pressure Effect 282 15.1.3 Electrode 283 15.1.3.1 Loading Method 283 15.1.3.2 Preparation 284 15.1.3.3 Experimental Process and Analysis Methods 284 References 285 16 Electrocatalysts-1 289 16.1 Heterogeneous Electrochemical CO2 Reduction Reaction 289 16.2 Thermodynamic and Kinetic Parameters of Heterogeneous CO2 Reduction in Liquid Phase 289 16.2.1 Bulk Metals 293 16.2.2 Nanoscale Metal and Oxidant Metal Catalysts 294 16.2.2.1 Gold (Au) 295 16.2.2.2 Silver (Ag) 296 16.2.2.3 Palladium (Pd) 297 16.2.2.4 Zinc (Zn) 298 16.2.2.5 Copper (Cu) 299 16.2.3 Bimetallic/Alloy 301 References 306 17 Electrocatalysts-2 309 17.1 Single-Atom Metal-Doped Carbon Catalysts (SACs) 309 17.1.1 Nickel (Ni)-SACs 309 17.1.2 Cobalt (Co)-SACs 311 17.1.3 Iron (Fe)-SACs 311 17.1.4 Zinc (Zn)-SACs 314 17.1.5 Copper (Cu)-SACs 314 17.1.6 Other 316 17.2 Metal Nanoparticles-Doped Carbon Catalysts 317 17.3 Porous Organic Material 320 17.3.1 Metal Organic Frameworks (MOFs) 320 17.3.2 Covalent Organic Frameworks (COFs) 321 17.3.3 Metal-Free Catalyst 322 17.4 Metal-Free Carbon-Based Catalyst 322 17.4.1 Other Metal-Free Catalyst 324 17.5 Electrochemical CO Reduction Reaction 324 17.5.1 The Importance of CO Reduction Study 324 17.5.2 Advances in CO Reduction 326 References 327 18 Devices 331 18.1 H-Cell 331 18.2 Flow Cell 333 18.3 Requirements and Challenges for Next-Generation CO2 Reduction Cell 338 18.3.1 Wide Range of Electrocatalysts 338 18.3.2 Fundamental Factor Influencing the Catalytic Activity for ECDRR 339 18.3.3 Device Engineering 340 References 342 Part VIII Computations-Guided Electrocatalysis 345 19 Insights into the Catalytic Process 347 19.1 Electric Double Layer 347 19.2 Kinetics and Thermodynamics 349 19.3 Electrode Potential Effects 350 References 352 20 Computational Electrocatalysis 355 20.1 Computational Screening Toward Calculation Theories 356 20.2 Reactivity Descriptors 358 20.2.1 d-band Theory Motivates Electronic Descriptor 359 20.2.2 Coordination Numbers Motives Structure Descriptor 361 20.3 Scaling Relationships: Applications of Descriptors 361 20.4 The Activity Principles and the Volcano Curve 363 20.5 DFT Modeling 366 20.5.1 CHE Model 367 20.5.2 Solvation Models 368 20.5.3 Kinetic Modeling 371 References 374 21 Theory-Guided Rational Design 377 21.1 Descriptors-Guided Screening 377 21.2 Scaling Relationship-Guided Trends 380 21.2.1 Reactivity Trends of ECR 380 21.2.2 Reactivity Trends of O-included Reactions 382 21.2.3 Reactivity Trends of H-included Reactions 385 21.3 DOS-Guided Models and Active Sites 386 References 388 22 DFT Applications in Selected Electrocatalytic Systems 391 22.1 Unveiling the Electrocatalytic Mechanism 391 22.1.1 ECR Reaction 393 22.1.2 OER Reaction 394 22.1.3 ORR Reaction 396 22.1.4 HER Reaction 397 22.1.5 HOR Reaction 398 22.1.6 CO Oxidation Reaction 400 22.1.7 FAOR Reaction 402 22.1.8 MOR Reaction 402 22.1.9 EOR Reaction 404 22.2 Understanding the Electrocatalytic Environment 406 22.2.1 Solvation Effects 406 22.2.2 pH Effects 409 22.3 Analyzing the Electrochemical Kinetics 410 22.4 Perspectives, Challenges, and Future Direction of DFT Computation in Electrocatalysis 413 References 414 Part IX Potential of In Situ Characterizations for Electrocatalysis 421 References 422 23 In Situ Characterization Techniques 423 23.1 Optical Characterization Techniques 423 23.1.1 Infrared Spectroscopy 423 23.1.2 Raman Spectroscopy 424 23.1.3 UV–vis Spectroscopy 426 23.2 X-Ray Characterization Techniques 427 23.2.1 X-Ray Diffraction (XRD) 429 23.2.2 X-Ray Absorption Spectroscopy (XAS) 429 23.2.3 X-Ray Photoelectron Spectroscopy (XPS) 431 23.3 Mass Spectrometric Characterization Techniques 431 23.4 Electron-Based Characterization Techniques 432 23.4.1 Transmission Electron Microscopy (TEM) 434 23.4.2 Scanning Probe Microscopy (SPM) 434 References 436 24 In Situ Characterizations in Electrocatalytic Cycle 441 24.1 Investigating the Real Active Centers 441 24.1.1 Monitoring the Electronic Structure 442 24.1.2 Monitoring the Atomic Structure 444 24.1.3 Monitoring the Catalyst Phase Transformation 446 24.2 Investigating the Reaction Mechanism 449 24.2.1 Through Adsorption/Activation Understanding 450 24.2.2 Through Intermediates In Situ Probing 451 24.2.3 Through Catalytic Product In Situ Detections 454 24.3 Evaluating the Catalyst Stability/Decay 457 24.4 Revealing the Interfacial-Related Insights 460 24.5 Conclusion 462 References 462 Part X Electrochemical Catalytic Carbon Cycle 465 References 466 25 Electrochemical CO2 Reduction to Fuels 467 References 479 26 Electrochemical Fuel Oxidation 483 References 495 27 Evaluation and Management of ECC 499 27.1 Basic Performance Index 499 27.2 CO2 Capture and Fuel Transport 500 27.3 External Management 500 27.4 General Outlook 502 References 505 Index 507
£138.56
Wiley-VCH Verlag GmbH CO2 Conversion and Utilization: Photocatalytic
Book SynopsisCO2 Conversion and Utilization Comprehensive overview of current development of various catalysts in CO2 conversion and utilization through photocatalytic and electrochemical methods CO2 Conversion and Utilization systematically summarizes the development of CO2 photo- and electro-conversion and utilization, especially the reaction mechanism, engineering and technology of testing, and preparation methods and physicochemical properties of various catalytic materials. The rational design and preparation of catalysts, development of characterization technologies, and in-depth understanding of catalytic mechanisms are systematically discussed. In particular, the various parameters influencing the photocatalytic and electrochemical CO2 reduction are emphasized. The underlying challenges and perspectives for the future development of efficient catalysts for CO2 reduction to specific chemicals and fuels are discussed at the end of the text. Written by a highly qualified author with significant experience in the field, CO2 Conversion and Utilization includes information on: Measurement systems and parameters for CO2 photo/electro-conversion, CO2 photo/electro-conversion mechanism, and Cu-based and Cu-free metal materials for electrocatalytic CO2 reduction Organic-inorganic, metal organic framework, and covalent organic framework hybrid materials for CO2 photo/electro-conversion Single/dual-atom catalysts, homogeneous catalysts, and high-entropy alloys for CO2 photo/electro-conversion Semiconductor composite and carbon-based materials for photocatalytic CO2 reduction, novel routes for CO2 utilization via metal-CO2 batteries, and CO2 conversion into long-chain compounds Providing comprehensive coverage of the subject, CO2 Conversion and Utilization is of high interest for scientific researchers as well as engineers and technicians in industry, including but not limited to photochemists, electrochemists, environmental chemists, catalytic chemists, chemists in industry, and inorganic chemists.Table of ContentsPreface xiii 1 Measurement Systems and Parameters for CO 2 Photo/Electro-Conversion 1 li li, Zhenwei Zhao, Xinyi Wang, and Zhicheng Zhang 1.1 Introduction 1 1.2 The Measurement Systems for CO 2 Photo/Electro-Conversion 1 1.2.1 The Measurement Systems of Photocatalytic CO 2 Reduction 1 1.2.1.1 CO 2 Reduction System Under Liquid-Phase Reaction System 2 1.2.1.2 CO 2 Reduction System in Gas-Phase Reaction System 2 1.2.1.3 Detection of CO 2 Reduction Products 3 1.2.2 The Measurement Systems of Electrocatalytic CO 2 Reduction 3 1.2.2.1 Electrocatalytic CO 2 Reduction Reaction Test in H-Cell 3 1.2.2.2 Electrocatalytic CO 2 Reduction Reaction Test in Flow Cell 5 1.2.2.3 Electrocatalytic CO 2 Reduction Reaction Test in MEA 5 1.2.3 The Measurement Systems of Photo-Electro-Catalytic CO 2 Reduction 6 1.2.3.1 Basic Device for Photocatalytic CO 2 Reduction Experiment 6 1.2.3.2 Other Devices for Photocatalytic CO 2 Reduction 7 1.2.3.3 Detection of CO 2 Reduction Reaction Products 7 1.3 The Parameters for CO 2 Photo-Conversion 7 1.3.1 The Parameters of Photocatalytic CO 2 Reduction 7 1.3.1.1 Evaluation Parameters of Photocatalytic CO 2 Reduction Activity 8 1.3.1.2 Evaluation Parameters of Photocatalytic CO 2 Reduction Selectivity 10 1.3.1.3 Evaluation Parameters of Photocatalytic CO 2 Reduction Stability 10 1.3.2 The Parameters of Electrocatalytic CO 2 Reduction 10 1.3.3 The Parameters of Photo-Electro-Catalytic CO 2 Reduction 12 1.3.3.1 Overpotential 12 1.3.3.2 Total Photocurrent Density (j ph) and Partial Photocurrent Density (j A) 12 1.3.3.3 Faraday Efficiency (FE) 13 1.3.3.4 Solar Energy Conversion Efficiency 13 1.3.3.5 Apparent Quantum Yield (AQY) 13 1.3.3.6 Electrochemical Active Area (ECSA) 14 1.3.3.7 Electrochemical Impedance (EIS) 14 1.3.3.8 Tafel Slope (Tafel) 14 1.3.3.9 Photocatalytic Stability 14 References 15 2 CO 2 Photo/Electro-Conversion Mechanism 17 Yalin Guo, Shenghong Zhong, and Jianfeng Huang 2.1 Introduction 17 2.2 CO 2 Photo-Conversion Mechanism 18 2.3 CO 2 Electro-Conversion Mechanism 25 2.3.1 Thermodynamics of CO 2 Reduction 25 2.3.2 Pathways of Electrochemical CO 2 Reduction 26 2.3.2.1 Electrochemical CO 2 Reduction to CO 27 2.3.2.2 Electrochemical CO 2 Reduction to Formate 28 2.3.2.3 Electrochemical CO 2 Reduction to Products Beyond CO 29 2.4 Summary and Perspectives 32 References 32 3 Cu-Based Metal Materials for Electrocatalytic CO 2 Reduction 37 Junjun Li, Yongxia Shi, Man Hou, and Zhicheng Zhang 3.1 Introduction 37 3.2 Cu-Based Metal Materials for Electrocatalytic CO 2 Reduction 39 3.2.1 Cu Materials for Electrocatalytic CO 2 Reduction 39 3.2.2 Cu-Based Bimetal Materials for Electrocatalytic CO 2 Reduction 40 3.2.2.1 Cu–Au 40 3.2.2.2 Cu–Ag 42 3.2.2.3 Cu–Pd 43 3.2.2.4 Cu–Sn 44 3.2.2.5 Cu–Bi 46 3.2.2.6 Cu–In 46 3.2.2.7 Cu–Al 49 3.2.2.8 Cu–Zn 49 3.2.3 Cu-Based Trimetallic Materials for Electrocatalytic CO 2 Reduction 50 3.3 Conclusion and Outlook 50 Acknowledgment 53 References 53 4 Cu-Free Metal Materials for Electrocatalytic CO 2 Conversion 61 Zhiqi Huang and Qingfeng Hua 4.1 Introduction 61 4.2 CO-Producing Metals 62 4.2.1 Au-Based Electrocatalysts 62 4.2.2 Ag-Based Electrocatalysts 66 4.2.3 Pd-Based Electrocatalysts 68 4.2.4 Zn-Based Electrocatalysts 70 4.3 HCOOH-Producing Metals 72 4.3.1 Sn-Based Electrocatalysts 72 4.3.2 Bi-Based Electrocatalysts 76 4.3.3 In-Based Electrocatalysts 78 References 80 5 Organic–Inorganic Hybrid Materials for CO 2 Photo/Electro-Conversion 93 Peilei He 5.1 Hybrid Materials for Photocatalytic CO 2 Reduction Reaction (co 2 Rr) 93 5.1.1 Photocatalytic CO 2 RR on p-type Semiconductor/Molecule Catalysts 93 5.1.2 Photocatalytic CO 2 RR on Carbon Nitride (C 3 N 4)-supported Molecular Catalysts 95 5.1.3 Photocatalytic CO 2 RR on Polyoxometalates (POMs)-based Catalysts 97 5.2 Hybrid Materials for Electrochemical CO 2 RR 98 5.2.1 Electrochemical CO 2 RR on Carbon-supported Molecular Catalysts 98 5.2.2 Electrochemical CO 2 RR on TiO 2 -based Hybrid Materials 103 5.3 Hybrid Materials for Photoelectrochemical (PEC) CO 2 RR 104 5.4 Challenge and Opportunity 106 References 107 6 Metal–Organic Framework Materials for CO 2 Photo-/Electro-Conversion 111 Bingqing Yao, Xiaoya Cui, and Zhicheng Zhang 6.1 Introduction 111 6.2 Photocatalysis 112 6.2.1 MOFs with Photoactive Organic Ligands 113 6.2.2 MOFs with Photoactive Metal Nodes 116 6.2.3 MOF-Based Hybrid System 117 6.3 Electrocatalysis 119 6.3.1 MOFs with Active Sites at Organic Ligands 120 6.3.2 MOFs with Active Sites at Metal Nodes 121 6.3.3 MOF-Based Hybrid System 125 6.4 Photoelectrocatalysis 128 6.5 Conclusion and Outlook 129 Acknowledgment 130 References 130 7 Covalent Organic Frameworks for CO 2 Photo/Electro-Conversion 137 Ting He 7.1 Introduction 137 7.2 COFs for Photocatalytic CO 2 Reduction 138 7.2.1 Imine-Linked COFs 138 7.2.2 Ketoenamine COFs 141 7.2.3 Carbon–Carbon Double Bond-Linked COFs 145 7.2.4 Dioxin-Linked COFs 147 7.2.5 Azine-Linked and Hydrazone-Linked COFs 147 7.3 COFs for Electrocatalytic CO 2 Reduction 148 7.3.1 Porphyrin-Based COFs 148 7.3.2 Phthalocyanine-Based COFs 151 7.3.3 Other COFs 152 7.4 Challenges and Perspectives 152 References 154 8 Single/Dual-Atom Catalysts for CO 2 Photo/Electro-Conversion 157 Honghui Ou and Yao Wang 8.1 Introduction 157 8.2 Synthetic Methods of Single/Dual-Atom Catalysts 158 8.2.1 Single-Atom Photocatalysts 158 8.2.2 Dual-Atom Photocatalysts 160 8.2.3 Single-Atom Electro-Catalysts 162 8.2.4 Dual-Atom Electro-Catalysts 164 8.3 CO 2 Photo-Conversion 165 8.4 CO 2 Electro-Conversion 169 8.5 Summary and Perspective 171 References 172 9 Homogeneous Catalytic CO 2 Photo/Electro-Conversion 177 Zhenguo Guo and Houjuan Yang 9.1 Introduction 177 9.2 Homogeneous Catalytic CO 2 Electro-Conversion 177 9.2.1 The Structure Homogeneous Electrocatalytic CO 2 Reduction System 177 9.2.2 Products in Homogeneous Electrocatalytic CO 2 Reduction 178 9.2.3 Characterizing the Performance of Molecular Electrocatalysts 178 9.2.3.1 Selectivity 178 9.2.3.2 Activity 178 9.2.3.3 Overpotential (η) 179 9.2.3.4 Stability 179 9.2.4 Catalysts for Homogeneous Electrocatalytic CO 2 Reduction 179 9.3 Homogeneous Photocatalytic CO 2 Reduction 180 9.3.1 Mechanism of Homogeneous Photocatalytic CO 2 Reduction 180 9.3.2 Characterizing the Performance of Photocatalysis 181 9.3.3 Photosensitizers Used in Homogeneous Photocatalytic CO 2 Reduction 181 9.3.4 Sacrificial Electron Donors in Homogeneous Photocatalytic CO 2 Reduction 181 9.3.5 Catalysts Used in Homogeneous Photocatalytic CO 2 Reduction 182 9.4 Summary and Perspective 186 Acknowledgments 187 References 187 10 High-Entropy Alloys for CO 2 Photo/Electro-Conversion 189 Fengqi Wang, Pei Liu, and Yuchen Qin 10.1 Introduction 189 10.2 Reaction Pathways and Evaluation Parameters of Electrochemical Co 2 Rr 191 10.2.1 Reaction Pathways of CO 2 RR 191 10.2.2 Evaluation Parameters of Electrochemical CO 2 RR 192 10.2.2.1 Faraday Efficiency 192 10.2.2.2 Current Density 193 10.2.2.3 Turnover Number (TON) 194 10.2.2.4 Turnover Frequency (TOF) 194 10.2.2.5 Overpotential 194 10.3 Characteristics and Synthesis of HEAs 194 10.3.1 Characteristics of HEAs 194 10.3.1.1 The Cocktail Effect 194 10.3.1.2 The Sluggish Diffusion Effect 195 10.3.1.3 The High-entropy Effect 195 10.3.1.4 The Lattice Distortion Effect 195 10.3.1.5 The Phase Structure 196 10.3.2 Synthesis of HEAs 196 10.3.2.1 Top-Down Method 196 10.3.2.2 Down–Top Method 198 10.4 High-Entropy Alloys for CO 2 RR 199 10.5 Summary and Outlook 204 References 205 11 Semiconductor Composite Materials for Photocatalytic CO 2 Reduction 215 Shengyao Wang and Bo Jiang 11.1 Introduction 215 11.2 TiO 2 -Based Composite Photocatalysts 216 11.2.1 Mixed-Phase TiO 2 Composites 217 11.2.2 Metal-Modified TiO 2 218 11.2.3 Nonmetallic-Modified TiO 2 219 11.2.4 Organic Photosensitizer-Modified TiO 2 219 11.2.5 Composited TiO 2 Catalyst 220 11.3 Metal Oxides/Hydroxides-Based Composite Photocatalysts 222 11.3.1 Binary Metal Oxide 222 11.3.2 Ternary Metal Oxide 222 11.3.3 Oxide Perovskite 224 11.3.4 Transition Metal Hydroxide 224 11.3.5 Layered Double Hydroxides (LDHs) 226 11.4 Metal Chalcogenides/Nitrides-Based Composite Photocatalysts 226 11.4.1 Metal Chalcogenides-Based Composite Photocatalysts 227 11.4.2 Metal Nitrides-Based Composite Photocatalysts 228 11.5 c 3 N 4 -Based composite Photocatalysts 229 11.5.1 Change the Morphology and Structure 230 11.5.2 Doped Elements and Other Structural Units 231 11.5.3 Influence of Cocatalyst 232 11.5.4 Constructing Heterojunction 233 11.6 MOFs-Derived Composite Photocatalysts 233 11.6.1 Tunable Frame Structure 234 11.6.2 High Specific Surface Area Enhances CO 2 Adsorption 234 11.6.3 MOFs-Derived Composite Photocatalysts 234 11.7 Nonmetal-Based Composite Photocatalysts 236 11.7.1 Graphene Oxide-Based Composite Photocatalysts 236 11.7.2 SiC-Based Composite Photocatalysts 237 11.7.3 BN-Based Composite Photocatalysts 237 11.7.4 Black Phosphorus-Based Composite Photocatalysts 238 11.7.5 COFs-Based Composite Photocatalysts 239 11.7.6 CMPs-Based Composite Photocatalysts 240 11.8 Conclusions and Perspectives 240 References 242 12 Carbon-Based Materials for CO 2 Photo/Electro-Conversion 251 Qing Qin and Lei Dai 12.1 Advances of Carbon-Based Materials 251 12.1.1 Heteroatom-Doped Carbon 251 12.1.2 Metal-Based Carbon Composites 252 12.1.3 Carbon–Carbon Composites 253 12.1.4 Pore Construction 254 12.2 Background of CO 2 Conversion 255 12.3 EC CO 2 Conversion 256 12.3.1 Heteroatom-Doped Carbon in EC CO 2 Conversion 257 12.3.2 Metal-Modified Carbon Materials in EC CO 2 Conversion 259 12.3.3 Carbon–Carbon Composites in EC CO 2 Conversion 261 12.3.4 Pore Engineering in EC CO 2 Conversion 262 12.4 PC CO 2 Reduction 264 12.4.1 Heteroatom-Doped Carbon in PC CO 2 Conversion 265 12.4.2 Metal-Based/Carbon Nanocomposites in PC CO 2 Conversion 266 12.4.3 Carbon–Carbon Composites in PC CO 2 Conversion 268 12.5 Carbon-Based Materials in PEC CO 2 Reduction 269 12.6 Challenge and Opportunity 270 References 272 13 Metal–CO 2 Batteries: Novel Routes for CO 2 Utilization 283 Xiangyu Zhang and Le Yu 13.1 Introduction 283 13.2 The Mechanism for Metal–CO 2 Electrochemistry 284 13.2.1 Discharge/Charge Mechanisms of Li–CO 2 Batteries 284 13.2.1.1 Discharge Mechanisms of Pure Li–CO 2 Batteries 284 13.2.1.2 Charge Mechanisms of Pure Li–CO 2 Batteries 285 13.2.2 Discharge/Charge Mechanisms of Zn–CO 2 Batteries 286 13.3 The Electrocatalysts for Metal–CO 2 Batteries 286 13.3.1 Carbonaceous Materials 286 13.3.2 Noble Metal-based Materials and Transition Metal-based Materials 287 13.4 The Electrolytes for Metal–CO 2 Batteries 290 13.4.1 Nonaqueous Aprotic Liquid Electrolytes for Pure Li–CO 2 Electrochemistry 290 13.4.2 Solid-State Electrolytes for Pure Li–CO 2 Electrochemistry 290 13.5 Conclusion and Outlook 292 References 293 14 CO 2 Conversion into Long-Chain Compounds 297 Tingting Zheng and Chuan Xia 14.1 Introduction 297 14.2 Photobiochemical Synthesis (PBS) 299 14.2.1 Principles in Designing the PBS System 299 14.2.2 Multicarbon Compounds Produced from PBS 301 14.2.3 Challenges and Prospects for PBS 304 14.3 Microbial Electrosynthesis (MES) 306 14.3.1 Extracellular Electron Transfer (EET) 306 14.3.2 Approaches to Optimize MES 309 14.3.2.1 Metabolic Pathways 309 14.3.2.2 Metabolic Engineering 309 14.3.2.3 Culture 311 14.3.2.4 Biocathode 312 14.3.3 Multicarbon Products Derived from MES 313 14.3.4 The Status Quo and Challenges of MES 316 14.4 Decoupling Biotic and Abiotic Processes 318 14.5 Conclusions and Perspectives 322 References 324 15 Conclusions and Perspectives 335 Haiqing Wang 15.1 New CO 2 RR Catalyst 335 15.2 New CO 2 RR Mechanism 336 15.3 Industrial CO 2 RR Perspectives 337 Index 339
£106.25
Oxford University Press Organometallics and Catalysis An Introduction
Book SynopsisOrganometallic chemistry explores the chemistry of the often bewildering variety of compounds featuring metal-carbon bonds. A field that has underpinned the development of new synthetic methods and materials, it is also central to our understanding of catalysis.In his text, Manfred Bochmann distils the extensive knowledge of the field into a succinct overview of essential concepts. The book is enriched throughout with examples that demonstrate how our understanding of organometallic chemistry has led to new applications in research and industry - not least in relation to catalysis - and an extensive reaction schemes and structures give added clarity to the concepts being explained. Striking just the right balance between breadth and depth - and with features throughout to support the learning process - Organometallics and Catalysis is the perfect introduction for undergraduate and graduate students who need a thorough grounding on the subject or are embarking on new research areas.OnliTrade ReviewBochmann has done an excellent job. While providing broad coverage of the literature, it is organized in a fashion that will make the chemistry readily understandable to students and yet is comprehensive enough to be an excellent reference book for practitioners of organometallic chemistry. I believe this book will become the new standard text for teaching organometallic chemistry at the undergraduate and graduate levels. * Douglas W. Stephan, University of Toronto *This comprehensive, well organised, clearly illustrated, and fully up-to-date book is essential reading for advanced undergraduates and postgraduate research students working in, or at the borders, of contemporary organometallic chemistry and catalysis. * Philip Mountford, University of Oxford *The breadth and depth in which topics are covered is particularly impressive; the lucid writing style will allow students to understand the key concepts readily, and a series of carefully crafted exercises throughout the book provide valuable opportunities for testing this understanding. Teachers of organometallic chemistry will find this superb book to be an indispensable resource. * Richard Layfield, The University of Manchester *Table of ContentsPart 1. Organometallic Compounds of Main Group Elements ; 1.1 General and bonding considerations ; 1.2 Alkali metal organometallics: lithium ; 1.3 Organometallic compounds of alkaline earth metals ; 1.4 Zinc, cadmium and mercury ; 1.5 Organometallic compounds of the boron group ; 1.6 Organometallic compounds of the carbon group ; Part 2. Organometallic Compounds of Transition Metals ; 2.1 Ligand types ; 2.2 Common types of organometallic complexes ; 2.3 Electron counting and the 16/18-electron rule ; 2.4 Ligand properties and metal-ligand bonding ; 2.5 L-type *p-acceptor ligands : metal carbonyl complexes ; 2.6 L-type *p-acceptor ligands: alkenes, dienes and alkynes ; 2.7 LX- and L2X-type *p-acceptor ligands: allyl and enyl complexes ; 2.8 L2X-type *p-acceptor ligands: metallocene complexes ; 2.9 Arene complexes ; 2.10 Sigma complexes ; 2.11 Complexes with M-C *s-bonds ; 2.12 Alkylidene complexes ; 2.13 Complexes with MC triple bonds: carbynes ; Part 3. Homogeneous Catalysis with Organometallic Transition Metal Complexes ; 3.1 General considerations ; 3.2 Key reaction steps in homogeneous catalysis ; 3.3 Catalytic H-H and H-X additions ; 3.4 Catalytic carbonylations ; 3.5 Alkene oxidations ; 3.6 Coupling reactions ; 3.7 Alkene polymerizations ; Appendix 1 Commonly used solvents and their properties ; Appendix 2 Number and symmetry of infrared-active vibrations of metal carbonyl complexes ; Appendix 3 Answers to exercises ; Appendix 4 Further reading
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World Scientific Europe Ltd Introduction To Heterogeneous Catalysis
Book SynopsisCatalysis is a multidisciplinary subject. This book introduces the chemical, materials, and engineering principles of catalysis so that both MSc and PhD students with a basic but not extensive knowledge of chemistry and physics and those with a basic understanding of chemical engineering can learn more about catalysis. Examples are taken from catalytic reactions and catalysts used in the energy, petroleum, and base-chemicals industry.The second edition differs from the first edition in the way basic topics are integrated with catalytic applications. The authors introduce two new chapters: 'Cleaning of Fuels by Hydrotreating' and 'Electrocatalysis'. Hydrotreating is a very important industrial process and offers the opportunity to discuss metal sulfide catalysts. Electrocatalysis gains more and more attention because it can be used to minimize the anthropogenic CO₂ emissions. Solar, wind, and hydroelectricity can drive water electrolysis and CO₂ electroreduction and, therefore, excess renewable electricity can be stored in chemicals.Introduction to Heterogeneous Catalysis (Second Edition) is intended for a one-semester course for master and PhD students who want to learn more about the principles of catalysis. This must-read textbook will enable students to read catalysis literature without much difficulty and presents not only the basic concepts of catalysis but integrates the chemical, materials, and engineering aspects of catalysis with industry examples.
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World Scientific Europe Ltd Mechanisms In Heterogeneous Catalysis
Book SynopsisHeterogeneous catalysis has developed over the past two centuries as a technology driven by the needs of society, and is part of Nobel Prize-winning science. This book describes the spectacular increase in molecular understanding of heterogenous catalytic reactions in important industrial processes. Reaction mechanism and kinetics are discussed with a unique focus on their relation with the inorganic chemistry of the catalyst material. An introductory chapter presents the development of catalysis science and catalyst discovery from a historical perspective. Five chapters that form the thrust of the book are organized by type of reaction, reactivity principles, and mechanistic theories, which provide the scientific basis to structure-function relationships of catalyst performance. Present-day challenges to catalysis are sketched in a final chapter. Written by one of the world's leading experts on the topic, this definitive text is an essential reference for students, researchers and engineers working in this multibillion-dollar field.
£157.50
Royal Society of Chemistry Computational Catalysis
Book SynopsisThe field of computational catalysis has existed in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst entirely from the computer. While this goal has not been reached yet, the 21st Century has already seen key advances in capturing the myriad complex phenomena that are critical to catalyst behaviour under reaction conditions. This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis. Each method is supported with applied examples selected by the author, proving to be a more substantial resource than the existing literature. Both existing a possible future high-impact techniques are presented. An essential reference to anyone working in the field, the book's editors share more than two decade's of experience in computational catalysis and have brought together an impressive array of contributors. The book is written to ensure postgraduates and professionals will benefit from this one-stop resource on the cutting-edge of the field.Table of ContentsCharge transfer or reactive potentials; Ab initio thermodynamics; First-principles based microkinetic modelling; Adaptive kinetic Monte Carlo; Computational catalyst screening; Enantioselective catalysis; Dynamics of Surface Reactions; Advances in DFT functionals for catalysis; Modelling highly correlated systems in heterogeneous catalysis
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Springer International Publishing AG Heterogeneous Catalysis and its Industrial
Book SynopsisThis book aims to introduce the basic concepts involved in industrial catalytic processes. It is profusely illustrated with experimental results with the main objective of guiding how to select a suitable catalyst for specific processes. The book is divided in two parts. In the first part the basic concepts are addressed, regarding the existing theories, activity patterns and adsorption-desorption phenomena. In the second part the key experimental methods for the physicochemical characterization of catalysts are presented, as well as the currently used catalyst pre and post treatments. The last chapter describes some important in situ characterization techniques (e.g. XPS and TEM) and surface model patterns related to surface modifications occurring during the reaction. Thoroughly illustrated with microscopy images, spectroscopy data and schematics of reaction mechanisms, the book provides a powerful learning tool for students in undergraduate and graduate level courses on the field of catalysis. Exercises and resolved problems are provided, as well as experimental procedures to support laboratory classes. Furthermore, the content is presented in a carefully chosen sequence, reflecting the 30 year teaching experience of the author. The author, Professor Martin Schmal, sees the present book as a way of conveying basic knowledge needed for the development of more efficient catalysts (i.e. nanostructured materials) and novel industrial chemical processes in the fields of environmental chemistry, fine chemistry, hydrotreating of heavy oils, hydrogen production and biomass processing.Table of ContentsIntroduction on Heterogeneous Catalysis.- Model a catalyst.- Activity Patterns.- Adsorption-desorption.- Basic concepts.- Surface area and volume.- Catalysts preparation.- Variables influencing the final properties of the catalyst.- Structural analyses – x- ray diffraction.- Spectroscopy in the Infrared Region.- X-ray photoelectron spectroscopy (ESCA – XPS/ISS).- Electronic Microscopy: General and Specific Notions.- Nanostructured catalysts.- Kinetics and mechanisms.- Evaluation of Industrial Catalysts.
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Springer International Publishing AG Ultrasonic Synthesis of Functional Materials
Book SynopsisThis book begins by giving a summary of sonochemistry and explains how a chemical reaction can be induced by the interaction of sound waves and gas bubbles in liquids. The work outlines how primary and secondary radicals combined with the physical effects generated during acoustic cavitation are active in the ultrasonic synthesis of a variety of functional materials. The brief covers hot topics that include ultrasonic synthesis of various functional materials covering the following broad areas: acoustic cavitation and sonochemistry, synthesis of functional polymers and their applications, synthesis of functional inorganic materials and their applications, improving functionality of food/dairy systems, synthesis of functional biomaterials and their applications, synthesis of graphene based catalytic materials. Theory is kept to a minimum. The book is aimed at individuals at universities and will also interest those in industry. It is suitable for all levels.Table of ContentsIntroduction.- Ultrasonic Synthesis of Functional Materials.- Advantages, Disadvantages and Challenges of Ultrasonic Technology.
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Springer International Publishing AG Guanidines as Reagents and Catalysts I
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World Scientific Publishing Co Pte Ltd Topics In Enantioselective Catalysis: Recent
Book SynopsisThis book illustrates the broad field of enantioselective catalysis by highlighting a few topics, out of myriads, with the double aim to typify selected synthetic achievements and future challenges. Eleven research groups have highlighted topics of interest in either organo- or organometallic catalysis, related to their own expertise. For mature fields, these short chapters, far from being exhaustive, show updated overviews including major recent advances and disclose a few prospects. Other chapters focus on upcoming topics in enantioselective catalysis, i.e. on classes of reactions or families of catalysts that are expected to provide appealing synthetic tools when suitably mastered. For all these areas, recent studies demonstrate highly promising perspectives.
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Nova Science Publishers Inc Progress in Catalysis Research
Book Synopsis
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Nova Science Publishers Inc Trends in Catalysis Research
Book SynopsisThe chemical or biological process whereby the presence of an external compound, a catalyst, serves as an agent to cause a chemical reaction to occur or to improve reaction performance without altering the external compound. Catalysis is a very important process from an industrial point of view since the production of most industrially important chemicals involve catalysis. Research into catalysis is a major field in applied science, and involves many fields of chemistry and physics. The book brings together leading research in this vibrant field.
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New Age International (UK) Ltd Heterogeneous Catalysis
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Springer Carbonylation
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Springer Polyampholytes Synthesis Characterization and Application
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Springer Environmental Challenges and Greenhouse Gas Control for Fossil Fuel Utilization in the 21st Century
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Springer Chemical Kinetics and Inorganic Reaction Mechanisms
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Springer Advances in Metal Carbene Chemistry 269 Nato Science Series C
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Springer Metal Promoted Selectivity in Organic Synthesis 12 Catalysis by Metal Complexes
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Springer Zeolite Microporous Solids Synthesis Structure and Reactivity 352 Nato Science Series C
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Springer Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis 6 Understanding Chemical Reactivity
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Springer Clean Utilization of Coal Coal Structure and Reactivity Cleaning and Environmental Aspects 370 Nato Science Series C
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Springer Catalytic Activation of Dioxygen by Metal Complexes 13 Catalysis by Metal Complexes
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Springer Molecular Electrochemistry of Inorganic Bioinorganic and Organometallic Compounds Proceedings of the NATO Advanced Research Workshop Sintra 2529 1992 385 Nato Science Series C
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Springer Transition Metal Carbyne Complexes Proceedings of the NATO Advanced Research Workshop Wildbad Kreuth Germany September 27October 2 1992 392 Nato Science Series C
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Springer Photosensitization and Photocatalysis Using Inorganic and Organometallic Compounds 14 Catalysis by Metal Complexes
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Springer Homogeneous Hydrogenation 15 Catalysis by Metal Complexes
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Springer Oxygenates by Homologation or CO Hydrogenation with Metal Complexes 16 Catalysis by Metal Complexes
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Springer Theoretical Aspects of Homogeneous Catalysis Applications of Ab Initio Molecular Orbital Theory 18 Catalysis by Metal Complexes
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Springer Aqueous Organometallic Chemistry and Catalysis
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Springer MetalLigand Interactions Structure and Reactivity 474 Nato Science Series C
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Springer Chemisorption and Reactivity on Supported Clusters and Thin Films Towards an Understanding of Microscopic Processes in Catalysis 331 Nato Science Series E
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Springer Catalytic Activation and Functionalisation of Light Alkanes Advances and Challenges NATO Science Partnership SubSeries 3 44
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Springer Soft Mechanochemical Synthesis A Basis for New Chemical Technologies
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De Gruyter Catalysis at Surfaces
Book SynopsisCatalysis is at the heart of the chemical industry, which uses solid catalysts for the large-scale production of commodity chemicals. Catalysis at surfaces is also the basis for the ongoing transition to a sustainable energy supply, which requires molecules such as hydrogen, ammonia or methanol to store energy in chemical bonds, and environmental protection equally relies on heterogeneous catalysis. Catalysis at surfaces is a truly interdisciplinary field, which requires profound knowledge from chemistry, physics and engineering as provided by this textbook. All essential tools are described ranging from the synthesis and modification of porous solids over bulk- and surface-sensitive characterization techniques to currently applied theoretical methods. A close-up to the important aspects of surface catalysis is provided, which comprises the established knowledge about mechanisms and active sites, promotors and poisons in redox and acid-base catalysis. This advanced textbook is recommended for Master and PhD students, for whom it provides the fundamentals and all relevant aspects of catalyst synthesis, characterization and application in suitable reactors. It is not only thermal catalysis that is covered in depth, but also photo- and electrocatalysis as emerging fields in the Energiewende.
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De Gruyter Organometallic Chemistry: Fundamentals and Applications
Book SynopsisThis book provides the reader with a comprehensive introduction to the topic of organometallic chemistry. With an easy to follow structure covering both nontransition metals and transition metals as well as the applications of organometallic reagents in organic synthesis, this book is a must-have for the organometallic chemist.
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De Gruyter Power-to-Gas: Renewable Hydrogen Economy for the Energy Transition
Book SynopsisThe increase of renewable electricity production and the resulting surplus lead us to ask: how to improve energy efficiency through the use of hydrogen? This 2nd Edition of Power-to-Gas covers the global energy issues (generation, distribution, consumption, markets), the production of hydrogen via electrolysis, its transportation and storage or conversion in another form. It takes account of the new energy challenges facing the world and the development of experimentations by adding new projects and realisations.
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De Gruyter Heterogeneous Catalysis: Solid Catalysts, Kinetics, Transport Effects, Catalytic Reactors
Book SynopsisThis textbook is a concise introduction to heterogeneous catalysis, focusing on the fundamentals and industrial implementation. It is written in a clear manner using language that is easily accessible to undergraduate students in chemical engineering and industrial chemistry. The textbook includes exercise problems and practice software. New in this edition are sections on catalyst preparation and manufacture, kinetic parameter estimation, and catalytic transport-line reactors. Solutions to all the example problems are now provided.
£63.65
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Solid Base Catalysis
Book SynopsisThe importance of solid base catalysts has come to be recognized for their environmentally benign qualities, and much significant progress has been made over the past two decades in catalytic materials and solid base-catalyzed reactions. The book is focused on the solid base. Because of the advantages over liquid bases, the use of solid base catalysts in organic synthesis is expanding. Solid bases are easier to dispose than liquid bases, separation and recovery of products, catalysts and solvents are less difficult, and they are non-corrosive. Furthermore, base-catalyzed reactions can be performed without using solvents and even in the gas phase, opening up more possibilities for discovering novel reaction systems. Using numerous examples, the present volume describes the remarkable role solid base catalysis can play, given the ever increasing worldwide importance of "green" chemistry. The reader will obtain an overall view of solid base catalysis and gain insight into the versatility of the reactions to which solid base catalysts can be utilized. The concept and significance of solid base catalysis are discussed, followed by descriptions of various methods for the characterization of solid bases, including spectroscopic methods and test reactions. The preparation and properties of base materials are presented in detail, with the two final chapters devoted to surveying the variety of reactions catalyzed by solid bases.Table of ContentsIntroduction.- Characterization of Solid Base Catalysts.- Preparation and Catalytic Properties of Solid Base Catalysts - Metal Oxides.- Preparation and Catalytic Properties of Solid Base Catalysts - Specific Materials for Solid Bases.- Reactions Catalyzed by Solid Bases.- Solid Base Catalysts for Specific Subjects.
£132.28
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Transformation and Utilization of Carbon Dioxide
Book SynopsisTransformation and Utilization of Carbon Dioxide shows the various organic, polymeric and inorganic compounds which result from the transformation of carbon dioxide through chemical, photocatalytic, electrochemical, inorganic and biological processes. The book consists of twelve chapters demonstrating interesting examples of these reactions, depending on the types of reaction and catalyst. It also includes two chapters dealing with the utilization of carbon dioxide as a reaction promoter and presents a wide range of examples of chemistry and chemical engineering with carbon dioxide. Transformation and Utilization of Carbon Dioxide is a collective work of reviews illustrative of recent advances in the transformation and utilization of carbon dioxide. This book is interesting and useful to a wide readership in the various fields of chemical science and engineering.Bhalchandra Bhanage is a professor of industrial and engineering chemistry at Institute of Chemical Technology, India.Masahiko Arai is a professor of chemical engineering at Hokkaido University, Japan.Table of ContentsPart I Chemical Reactions.- Addition of CO2 with molecular catalysts (metal complexes).- Addition of CO2 with molecular catalysts (other catalysts).- Direct CO2 fixation over heterogeneous catalysts.- Indirect CO2 fixation over heterogeneous catalysts (using urea and others).- Hydrogenation of CO2 with molecular catalysts (to alcohol, formate and others).- Hydrogenation of CO2 with heterogeneous catalysts (to alcohol, formate and others).- Dry CO2 reforming.- Polymerization.- Part II Photocatalytic, Electrochemical and Inorganic Reactions.- Photocatalytic reaction.- Electrochemical reaction.- Inorganic reaction (including CO2 storage).- Part III Biological Reactions.- Biological reaction.- Part IV Utilization as Reaction Promoter.- Application of CO2 as a reaction promoter in organic synthetic reaction.
£85.49
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Porous Materials for Carbon Dioxide Capture
Book SynopsisThis multi-authored book provides a comprehensive overview of the latest developments in porous CO2 capture materials, including ionic liquid–derived carbonaceous adsorbents, porous carbons, metal-organic frameworks, porous aromatic frameworks, micro porous organic polymers. It also reviews the sorption techniques such as cyclic uptake and desorption reactions and membrane separations. In each category, the design and fabrication, the comprehensive characterization, the evaluation of CO2 sorption/separation and the sorption/degradation mechanism are highlighted. In addition, the advantages and remaining challenges as well as future perspectives for each porous material are covered.This book is aimed at scientists and graduate students in such fields as separation, carbon, polymer, chemistry, material science and technology, who will use and appreciate this information source in their research. Other specialists may consult specific chapters to find the latest, authoritative reviews.Dr. An-Hui Lu is a Professor at the State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, China.Dr. Sheng Dai is a Corporate Fellow and Group Leader in the Chemical Sciences Division at Oak Ridge National Laboratory (ORNL) and a Professor of Chemistry at the University of Tennessee, USA.Table of ContentsIonic Liquid-Derived Carbonaceous Adsorbents for CO2 Capture.- Porous Carbons for Carbon Dioxide Capture.- Metal-Organic Frameworks (MOFs) for CO2 Capture.- Carbon Dioxide Capture in Porous Aromatic Frameworks.- Microporous Organic Polymers for Carbon Dioxide Capture.- CO2 capture via cyclic calcination and carbonation reactions.- Functionalized inorganic membranes for high temperature CO2/N2 separation.
£85.49
Taylor & Francis Inc Heterogeneous Catalysis
Book SynopsisFor more than a century, bioactive heterocycles have formed one of the largest areas of research in organic chemistry. They are important from a biological and industrial point of view as well as to the understanding of life processes and efforts to improve the quality of life. Heterogeneous Catalysis: A Versatile Tool for the Synthesis of Bioactive Heterocycles highlights the recent methodologies used in the synthesis of such bioactive systems and focuses on the role of heterogeneous catalysis in the design and synthesis of various biologically active heterocyclic compounds of pharmacological interest. Topics include: Synthetic protocols for the construction of heterocyclic systems employing silica-bound catalysts Recent advances in heterogeneous copper-catalyzed reactions for the synthesis of bioactive heterocycles Features of silica-based heterogeneous catalysts, such as abundance, ease of use, and stabilityTable of ContentsSynthesis of Bioactive Heterocyclic Systems Promoted by Silica-Supported Catalysts. Eco-Benign Synthesis of Indole Derivatives Employing Diverse Heterogeneous Catalysts. Solid Heterogeneous Catalysts Based on Sulfuric Acid and Transition-Metal Salts: Synthesis of Bioactive Heterocycles. Heterogeneous Copper-Catalyzed Synthesis of Bioactive Heterocycles. Silica Sulfuric Acid: A Simple and Powerful Heterogeneous Catalyst in Organic Synthesis. Application of Silica-Based Heterogeneous Catalysis for the Synthesis of Bioactive Heterocycles. Application of Organometallic Compounds as Heterogeneous Catalysts in Organic Synthesis. Ultrasound: An Efficient Tool for the Synthesis of Bioactive Heterocycles. Nano–Zinc Oxide: An Efficient Heterogeneous Catalyst for the Synthesis of Heterocyclic Compounds. Application of Heterogeneous Catalysts for the Synthesis of Bioactive Coumarins. Silver: A Versatile Heterogeneous Catalyst for Heterocyclic Synthesis. Mesoporous Materials from Novel Silica Source as Heterogeneous Catalyst.
£171.00
Walter de Gruyter Engineering Catalysis
£79.20
