Electrochemistry and magnetochemistry Books

84 products


  • Lithium-Ion Batteries: Basics and Applications

    Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Lithium-Ion Batteries: Basics and Applications

    15 in stock

    Book SynopsisThe handbook focuses on a complete outline of lithium-ion batteries. Just before starting with an exposition of the fundamentals of this system, the book gives a short explanation of the newest cell generation. The most important elements are described as negative / positive electrode materials, electrolytes, seals and separators. The battery disconnect unit and the battery management system are important parts of modern lithium-ion batteries. An economical, faultless and efficient battery production is a must today and is represented with one chapter in the handbook. Cross-cutting issues like electrical, chemical, functional safety are further topics. Last but not least standards and transportation themes are the final chapters of the handbook. The different topics of the handbook provide a good knowledge base not only for those working daily on electrochemical energy storage, but also to scientists, engineers and students concerned in modern battery systems.Table of ContentsPart I Outline of energy storage systems.- Part II Lithium-Ion Batteries and their elements.- Part III Production of modern batteries.- Part IV Cross-cutting issues.- Part V Applications of Lithium-Ion Batteries and their demands.

    15 in stock

    £123.49

  • Springer Advancements in Voltammetry for Biosensing Applications

    15 in stock

    Book SynopsisPART 1. Introduction to Voltammetry for Biosensing Applications.- Chapter 1. Review on Voltammetry.- Chapter 2. Review on Biosensors for electroactive molecules detection.- Chapter 3. Brief Overview of Voltammetry for Biosensing Applications.- Chapter 4. Overview of Sensitivity, Selectivity, and stability of Voltammetric Sensors.- Chapter 5. Challenges in Voltammetry for Biosensing.- Part 2. Developments in Voltammetric Sensors.- Chapter 6. Developments in the Fabrication of Nanomaterial-Based Voltammetric Sensors.- Chapter 7. Trends in the development of Biosensors.- Chapter 8. Current trends in the use of carbon material for Sensing applications.- Chapter 9. Future of voltammetry for biosensing applications.- Part: 3 Applications of voltammetric Sensors in Biosensing.- Chapter 10. Voltammetric Sensors for health.- Chapter 11. Voltammetric Sensors for biological sample analysis.- Chapter 12. Biosensors for drug molecule analysis using voltammetry.- Chapter 13. Hormones detection using Voltammetric sensors.- Chapter 14. Nanomaterial-based voltammetric sensors for Food related bioactive molecules.- Chapter 15. Voltammetric sensors for the analysis of agricultural-related biomolecules.- Chapter 16. Food quality Assessment by voltammetric sensors.- Chapter 17. Electrochemical Insights: Advanced Voltammetric Sensors for Neurotransmitter DetectionElectrochemical Insights: Advanced Voltammetric Sensors for Neurotransmitter Detection.- Chapter 18. Applications and Commercialization Challenges of Voltammetry in Biosensing applications.

    15 in stock

    £208.99

  • 15 in stock

    £170.99

  • Independently Published Lithium ion cell advanced test and modeling

    15 in stock

    15 in stock

    £189.49

  • Electrochemical Sensors in Bioanalysis

    Taylor & Francis Inc Electrochemical Sensors in Bioanalysis

    1 in stock

    Book SynopsisCovers the most recent methods and materials for the construction, validation, analysis, and design of electrochemical sensors for bioanalytical, clinical, and pharmaceutical applications--emphasizing the latest classes of enantioselective electrochemical sensors as well as electrochemical sensors for in vivo and in vitro diagnosis, for DNA assay and HIV detection, and as detectors in flow systems. Contains current techniques for the assay or biochemical assay of biological fluids and pharmaceutical compounds.Trade Review". . .presents a timely overview. "---Journal of the American Chemical SocietyTable of ContentsElectrochemical sensors design; new theoretical concepts for ion-selective membrane electrodes; response characteristics of electrochemical sensors; analytical methods that use electrochemical sensors; applications of electrochemical sensors in the analysis of inorganic-type of substances; applications of electrochemical sensors in the analysis of organic-type of substances; the assay of DNA using electrochemical sensors; electrochemical sensors used in the diagnosis of HIV; enantioselective electrochemical sensors; microbial sensors; electrochemical sensor arrays; the utilization of microelectrodes for in vivo and in vitro analyses; flow systems with electrochemical sensors as detectors; validation criteria for developing electrochemical sensors for bioanalysis; estimation of uncertainties for electrochemical sensors applied in bioanalysis.

    1 in stock

    £228.00

  • Polysaccharide Based Supercapacitors

    Springer International Publishing AG Polysaccharide Based Supercapacitors

    1 in stock

    Book SynopsisThis book provides an excellent introduction into polysaccharide-based supercapacitors. It includes fundamental knowledge on supercaps as well as an overview of currently available approaches reported in the literature. Written by an international team of leading academics, this brief is aimed at a variety of readers with an interest in polysaccharide science and its applications.Table of Contents1. Introduction What is a supercapacitor? How to build a supercapacitor Materials for supercapacitors Applications of supercapacitors 2. Polysaccharides in supercapacitors Native polysaccharides Pyrolyzed polysaccharides 3. Conclusion and Outlook

    1 in stock

    £42.74

  • Elektrochemie

    Wiley-VCH Verlag GmbH Elektrochemie

    1 in stock

    Book SynopsisDie vierte Auflage eines echten Klassikers: Elektrochemie von den physikalisch-chemischen Grundlagen bis zu technischen, besonders auch energietechnischen, Anwendungen. Die erfahrenen Lehrbuchautoren stellen die schwierige Materie anschaulich und einfach, aber dennoch exakt, dar. Zahlreiche informative Grafiken unterstützen dieses Ziel, Tabellen liefern das nötige Zahlenmaterial mit. Das Spektrum dieses Buches erstreckt sich über - physikalisch-chemische Grundlagen - moderne Untersuchungsmethoden der Elektrochemie wie Spektroelektrochemie und Massenspektrometrie - elektrochemische Analytik einschließlich Sensorik - elektrochemische Produktionsverfahren - Brennstoffzellen - Bioelektrochemische Methoden und Fragestellungen - Mikro- und Nanotechnologie Ein Muß für jeden Chemiestudenten im Hauptstudium sowie für Chemieingenieure, Materialwissenschaftler und Physiker mit Chemie als Nebenfach!Trade Review"Das Buch ist gut ausgestattet und preiswert. Man wünscht ihm eine weite Verbreitung, insbesondere in den Bibliotheken von Universitäten und Forschungsinstituten aber auch in privater Hand." Zeitschrift für Physikalische Chemie "Klarer, gut verständlicher Stil, didaktisch logischer Aufbau und zahlreiche Grafiken, Tabellen und Literaturzitate ermöglichen einen umfassenden Einstieg in diese spannende Materie." BioTec "Die nun gründlich überarbeitete vierte Auflage ihres Lehrbuches stellt einen ganz bemerkenswerten Fortschritt gegenüber der 1998 vorgelegten dritten Auflage dar. ...zumal im deutschsprachigen Bereich kein vergleichbar umfangreiches ... Lehrbuch existiert... Das Buch kann ... nur jedermann empfohlen werden, der um den sicher nicht unerheblichen Anschaffungspreis eine umfassende Darstellung der Elektrochemie in ihren wesentlichen Aspekten in deutscher Sprache für den täglichen Gebrauch wünscht." Mitteilungsblatt d. GDCh, FG Analytische Chemie "Das Werk ist inzwischen ein Klassiker. (...) Das Buch wendet sich an Studierende der Chemie, die etwas tiefer in die Geheimnisse der Elektrochemie ... eindringen wollen. Es steht aber auch für Chemiker, die auf anderen Gebieten arbeiten, Chemielehrern und allen, die solide aber dabei doch verständliche Aufklärung und Information suchen, als eine Art Nachschlagewerk zur Verfügung.Die grundlegenden Kapitel über Leitfähigkeit und Potentiale sind so gestaltet, dass der Leser einen leichten Zugang findet ... Ich kann jedem, der sich etwas tiefer gehend mit der Elektrochemie befassen möchte oder der im Bedarfsfall eine verlässliche Darstellung elektrochemischer Sachverhalte benötigt, dieses Buch wärmstens empfehlen." CHEMKON "Die schwierige Materie wird anschaulich und einfach, aber dennoch exakt dargestellt, unterstützt durch zahlreiche Grafiken und Tabellen." HTM - Zeitschrift für Werkstoffe, Wärmebehandlung, Fertigung "Ich kann jedem, der sich etwas tiefer gehend mit der Elektrochemie befassen möchte oder der im Bedarfsfall eine verlässliche Darstellung elektrochemischer Sachverhalte benötigt, dieses Buch wärmstens empfehlen." CHEMKON Der Klassiker unter den Lehrbüchern der Elektrochemie mit vielen weiterführenden Anwendungsbeispielen, gut verständlichen Abbildungen und einem breiten Spektrum an Grundlagen sowie weiterführenden und vertiefenden Aspekten. Prof. Dr.-Ing. Robert Meißner, TU Hamburg, Maschinenbau Table of ContentsGrundlagen, Definitionen und Begriffe Leitfähigkeit und Wechselwirkungen in ionischen Systemen Potentiale und Strukturen an Phasengrenzen Potentiale und Ströme Untersuchungsmethoden Reaktionsmechanismen Zur Elektrochemie von festen und schmelzflüssigen Ionenleitern Produktionsverfahren Galvanische Elemente Analytische Anwendungen Vermischtes

    1 in stock

    £61.75

  • 1 in stock

    £121.46

  • Electrochemical Analysis of Proteins and Cells

    Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Electrochemical Analysis of Proteins and Cells

    15 in stock

    Book SynopsisElectrochemical Analysis of Proteins and Cells presents the remarkable progress made over the years in the electrochemical analysis of proteins and cells, due to the rapid development of protein electrochemistry together with related technologies such as surface modification, molecular recognition, molecular assembly, and nanotechnology. As an interdisciplinary field combining electrochemistry, analytical chemistry, biochemistry, biophysics, biomedicine and material science, the electrochemical analysis of proteins and cells has attracted broad and extensive research interest. The main emphasis of this book is on the principles of electrochemical strategies and the practical utility of related detection systems, which is of great importance in all biological sciences, such as cell biology and molecular biology, as well as in biomedical fields like cancer research. This brief offers an up-to-date, easy-to-follow presentation of recent advances on the subject and can serve as a supplement for graduate-level courses in analytical chemistry, biochemistry, biophysics, biotechnology, biomedical engineering, etc. It may also help young scientists get an overview of this topic.Table of ContentsIntroduction.- Theoretical Background of Electrochemical Analysis.- Electrochemical Analysis of Proteins.- Electrochemical Analysis of Cells

    15 in stock

    £44.99

  • Thermal Constants of Substances 8 Volume Set

    John Wiley & Sons Inc Thermal Constants of Substances 8 Volume Set

    1 in stock

    Book SynopsisThe definitive reference for thermal constants Thermal Constants of Substances is an authoritative reference for chemists and physicists in a wide range of disciplines. Provided as an eight-volume set, this reference provides critically selected and self-consistent thermal constants for all inorganic, simple organic, and metallo-organic substances studied over 25,000 in all. Over 51,500 references are included for further information, with some literature dating back to the 1800s. Organized alphabetically and cross-referenced for convenience, this reference has a permanent home on the bookshelves of labs around the world.Table of ContentsElements: O, H, D, T, F, Cl, Br, I(J), At, 3He, He, Ne, Ar, Kr, Xe, Rn. Elements: S, Se, Te, Po. Elements: N, P, As, Sb, Bi. Elements: C, Si, Ge, Sn, Pb. Elements: B, Al, Ga, In, Tl. Elements: Zn, Cd, Hg, Cu, Ag, Au, Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt. Elements: Mn, Tc, Re, Cr, Mo, W, V, Nb, Ta, Ti, Zr, Hf. Elements: Sc, Y, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Ac, Th, Pa, U, Np, Pu, Am, Cm, Bk, Cf, Es, Fm, Md, No, Lr. Elements: Be, Mg, Ca, Sr, Ba, Ra. Elements: Li, Na, K, Rb, Cs, Fr.

    1 in stock

    £5,363.06

  • Companion to Chemical Thermodynamics

    John Wiley & Sons Inc Companion to Chemical Thermodynamics

    Book SynopsisThis comprehensive solutions manual accompanies the updated sixth edition of Chemical Dynamics, a high level undergraduate/graduate text of classical thermodynamics, which provides a thorough treatment of partial- and relative-partial thermodynamic properties.Trade Review"A solutions manual to accompany the textbook...intended for both instructors and students." (SciTech Book News, March 2001)Table of ContentsChapter 2 Mathematical Preparation for Thermodynamics. Chapter 3 The First Law of Thermodynamics. Chapter 4 Enthalpy, Enthalpy of Reaction, and Heat Capacity. Chapter 5 Application of the First Law to Gases. Chapter 6 The Second Law of Thermodynamics. Chapter 7 Equilibrium and Spontaneity for Systems at ConstantTemperature: The Gibbs, Helmholtz, Planck, and MassieuFunctions. Chapter 8 Application of the Gibbs Function and the Planck Functionto Some Phase Changes. Chapter 9 The Third Law of Thermodynamics. Chapter 10 Application of the Gibbs and the Planck Function toChemical Changes. Chapter 11 Thermodynamics of Systems of Variable Composition. Chapter 12 Mixtures of Gases. Chapter 13 The Phase Rule. Chapter 14 The Ideal Solution. Chapter 15 Dilute Solutions of Nonelectrolytes. Chapter 16 Activities, Excess Gibbs Functions, and Standard Statesfor Nonelectrolytes. Chapter 17 Determination of Nonelectrolyte Activities and ExcessGibbs Functions from Experimental Data. Chapter 18 Calculation of Partial Molar Quantities and Excess MolarQuantities from Experimental Data: Volume And Enthalpy. Chapter 19 Activity, Activity Coefficients, and OsmoticCoefficients of Strong Electrolytes. Chapter 20 Changes in Gibbs Function for Processes InvolvingSolutions. Chapter 21 Systems Subject to a Gravitational Field. Chapter 22 Estimation of Thermodynamic Quantities. Chapter 23 Practical Mathematical Techniques.

    £73.76

  • Fundamentals of Electroanalytical Chemistry

    John Wiley & Sons Inc Fundamentals of Electroanalytical Chemistry

    Book SynopsisElectroanalytical chemistry is the use of electrochemistry to make analytical measurements. Discussing the principles of electroanalytical chemistry, this text has clear summaries of each analytical technique and provides exercises.Trade Review"...this book is recommended for all those who wish to learn about the different electroanalytical methods..." (Angewandte Chemie International Edition, Vol. 40, NO. 23, December 3, 2001)Table of ContentsSeries Preface. Preface. Acronyms, Abbreviations and Symbols. About the Author. Explanatory Forword. Introductory Overview and Discussion of Experiemental Methodology. Equilibrium Measurements: "Frustrated" Equilibrium with No Net Electron Transfer. Potentiometry: True Equilibrium and Monitoring Systems with Electron Transfer. Coulometry. Analysis by Dynamic Measurement, A: Systems Under Diffusion Control. Analysis by Dynamic Measurement, B: Systems Under Convection Control. Additional Methods. Electrode Preparation. Data Processing. Appendix A: Named Electoanalysis Equations Used in the Text. Appendix B: Writing a Cell Schematic. Appendix C: The Electrode Potential Series (Against the SHE). Responses to Self-Assessment Questions. Bibliography. Glossary of Terms. SI Units and Physical Contents. Periodic Table. Index.

    £99.86

  • Reactions in Solution

    John Wiley & Sons Inc Reactions in Solution

    Book SynopsisThis book provides the means of mastering the use of reactions in a range of solvents (aqueous, non-aqueous, molecular organic and inorganic, ionized molten salts). It indicates how to optimize these processes and continues by discussing the possibilities of large scale exploitation of these techniques (up to industrial processes), notably in the field of extractive metallurgy. In addition, detailed characteristics of electrochemical phenomena are presented.Table of ContentsCONTROLLED USE OF CHEMICAL REACTIONS IN SOLUTION--SELECTIVE BY APPLICATION MEANS OF AUXILLIARY REACTIONS. Quantitative Expression of the Effects of Complexation. Solubilisation and Insolubilisation-- Separation by Selective Dissolution or Precipitation. Oxidations and Reductions. Phase Transfer Reactions and Separations by Selective Extraction. REACTION MEDIA OTHER THAN AQUEOUS SOLUTIONS. Molecular Solvents--Effects of the Solvent on the Reactivity of Solutes. Reactions in Molten Salts. Appendices. Theoretical Problems. Index.

    £606.56

  • Large Ions

    John Wiley & Sons Inc Large Ions

    Book SynopsisRecent advances in both experimental techniques and theoretical methodologies have meant that increasingly sophisticated studies concerning the formation, structures, energetics and reaction dynamics of state- or energy-selected molecular ions can now be performed. In order to better serve the ion chemistry and physics community, each volume of this series is dedicated to reviewing a specific topic, emphasizing new experimental and theoretical developments in the study of ions. The Wiley Series in Ion Chemistry and Physics will help stimulate new research directions and point to future opportunities in the field of ion chemistry and physics. This volume, the sixth in the series, concentrates on the area of large ions. The production, detection and analysis of large ions are areas which have taken on great importance in recent years, in particular in the biomedical and biochemical fields. The understanding of large ions presents unique and formidable challenges which are very different Table of ContentsInvestigation of Large Ions by Fourier Transform Mass Spectrometry(F. Hadjarab & C. Wilkins). Steps Towards a More Refined Picture of the Matrix Function in UVMALDI (M. Karas, et al.). Models for Matrix-Assisted Laser Desorption and Ionization: MALDI(R. Johnson). Laser Ejection of Oligonucleotides (R. Levis). Collisional Activation Studies of Large Molecules (E. Marzluff& J. Beauchamp). Surface-Induced Dissociation of Large Ions (V. Wysocki & A.Dongre). Indexes.

    £359.96

  • The Chemistry of Aqua Ions Synthesis Structure

    John Wiley & Sons Inc The Chemistry of Aqua Ions Synthesis Structure

    Book SynopsisThis book has been written at a time when environmental issues and the move towards clean technology is driving synthetic chemists away from organic based solvent systems and towards water as the preferred medium of the future. The paints industry has already moved to aqueous based products. Metal aqua complexes are widely used in the areas of catalysis, dyes and pigments and in hydrometallurgy where a complete understanding of the metal ions in aqueous media is highly desirable.Table of ContentsPartial table of contents: Main Group Elements: 1,2,13,14,15,16,17 and 18. Group 4 Elements: Titanium, Zirconium and Hafnium. Group 6 Elements: Chromium, Molybdenum and Tungsten. Group 8 Elements: Iron, Ruthenium and Osmium. Group 10 Elements: Nickel, Palladium and Platinum. Group 11 Elements: Copper, Silver and Gold. Appendices.

    £322.15

  • Capillary Electrophoresis in Chiral Analysis

    John Wiley & Sons Inc Capillary Electrophoresis in Chiral Analysis

    Book SynopsisCapillary Electrophoresis in Chiral Analysis Bezhan Chankvetadze Tbilisi State University, Republic of Georgia The application of capillary electrophoresis (CE) to the field of chiral analysis has exploded recently. The advantages of capillary electrophoresis - extremely high peak efficiency, excellent compatibility with biological samples, short analysis time, simplicity, versatility and low cost - are perfect for the accurate measurement of optical purity, increasingly important in the regulation-ruled pharmaceutical industry. Although there have been a number of books on capillary electrophoresis and chiral analysis separately, as yet there has been no dedicated monograph on the application of capillary electrophoresis to chiral analysis. This book bridges the gap. Capillary Electrophoresis in Chiral Analysis charts the evolution of chiral capillary electrophoresis and describes new types of chiral selectors and mechanistic aspects of chiral recognition. While on the one hand, it isTable of ContentsPartial table of contents: Basics of Capillary Electrophoresis. Chiral Metal Complexes as Selectors in Capillary Electrophoresis. Enantioseparation Using Micellar Electrokinetic Chromatography (MEKC). Crown Ethers as Chiral Selectors in Capillary Electrophoresis. Macrocyclic Antibiotics as Chiral Selectors in Capillary Electrophoresis. Enantioseparation in Capillary Electrochromatography (CEC). Enantiomer Migration Order in Chiral Capillary Electrophoresis. Appendix. Index.

    £322.15

  • The Physical Principles of Magnetism

    John Wiley & Sons Inc The Physical Principles of Magnetism

    Book SynopsisThe Physical Principles of Magnetism... is such a classic -- a comprehensive introduction to all aspects of magnetism... The corrected reissue is a welcome addition to this much--needed archival series. Dr. Morrish presents an excellent introduction to the physics and mathematics of magnetism without oversimplification...Table of Contents1. The Magnetic Field. 1. Historical. 2. The Magnetic field Vector H. 3. The Magnetization Vector M. 4. Magnetic Induction, the Vector B. 5. The Demagnetization Factor D. 6. Energy of Interaction. 7. Magnetic Effects of Currents. The Magnetic Shell. Faraday's Law. 8. Maxwell's and Lorentz's Equations. 9. The Magnetic Circuit. 10. Dipole in a Uniform Field. 2. Diamagnetic and Paramagnetic Susceptibilities. 1. Introduction. 2. Review of Quantum Mechanical and Other Results. Diamagnetism. 3. The Langevin Formula for Diamagnetic Susceptibility. 4. Susceptibility of Atoms and Ions. 5. Susceptibility of Molecules. Paramagnetism. 6. Curie's Law. 7. Theoretical Derivations of Curie's Law. 8. Quantum Mechanical Treatment. 9. Susceptibility of Quasi-free Ions: the Rare Earths. 10. The Effect of the Crystalline Field. 11. The Iron Group Salts. 12. Covalent Binding and the 3d, 4d, 5d, and 5f-6d Transition Groups. 13. Saturation in Paramagnetic Substances. 14. Paramagnetic Molecules. 15. Paramagnetic Susceptibility of the Nucleus. 3. Thermal, Relaxation, and Resonance Phenomena in Paramagnetic Materials. 1. Introduction. Thermal Phenomena. 2. Summary of Thermodynamic Relationships. 3. The Magnetocaloric Effect: The Production and Measurement of Low Temperatures. Paramagnetic Relaxation. 4. The Susceptibility in an Alternating Magnetic Field. 5. Spin-Lattice Relaxation. 6. Spin-spin Relaxation. Paramagnetic Resonance. 7. Conditions for Paramagnetic Resonance. 8. Line Widths: the Effect of Damping. 9. Fine and Hyperfine Structure: the Spin-Hamiltonian. 10. The Spectra of the Transition Group Ions. The 3d group ions. Covalent binding and the 3d, Ad, 5d, and 5f-6d groups. 4/rare earth ions in salts. Transition ions in various host lattices. 11. The Spectra of Paramagnetic Molecules and Other Systems. Paramagnetic gases. Free radicals. Donors and acceptors in semiconductors. Traps, F-centers, etc. Defects from radiation damage. 12. The Three-Level Maser and Laser. 4. Nuclear Magnetic Resonance. 1. Introduction. 2. Line Shapes and Widths. 3. Resonance in Nonmetallic Solids. 4. The Influence of Nuclear Motion on Line Widths and Relaxations. 5. The Chemical Shift: Fine Structure. 6. Transient Effects: the Spin-Echo Method. 7. Negative Temperatures. 8. Quadrupole Effects and Resonance. 9. Nuclear Orientation. 10. Double Resonance. 11. Beam Methods. 5. The Magnetic Properties of an Electron Gas. 1. Statistical and Thermodynamic Functions for an Electron Gas. 2. The Spin Paramagnetism of the Electron Gas. 3. The Diamagnetism of the Electron Gas. 4. Comparison of Susceptibility Theory with Experiment. 5. The De Haas-Van Alphen Effect. 6. Galvanomagnetic, Thermomagnetic, and Magnetoacoustic Effects. 7. Electron Spin Resonance in Metals. 8. Cyclotron Resonance. 9. Nuclear Magnetic Resonance in Metals. 10. Some Magnetic Properties of Superconductors. 6. Ferromagnetism. 1. Introduction. 2. The Classical Molecular Field Theory and Comparison with Experiment. The spontaneous magnetization region. The paramagnetic region. Thermal effects. 3. The Exchange Interaction. 4. The Series Expansion Method. 5. The Bethe-Peierls-Weiss Method. 6. Spin Waves. 7. Band Model Theories of Ferromagnetism. 8. Ferromagnetic Metals and Alloys. 9. Crystalline Anisotropy. 10. Magnetoelastic Effects. 7. The Magnetization of Ferromagnetic Materials. 1. Introduction. 2. Single-Domain Particles. Critical size. Hysteresis loops. Incoherent rotations. Some experimental results. Other effects. 3. Superparamagnetic Particles. 4. Permanent Magnet Materials. 5. Domain Walls. 6. Domain Structure. 7. The Analysis of the Magnetization Curves of Bulk Material. Domain wall movements. Coercive force. Initial permeability. Picture frame specimens. The approach to saturation. Remanence. Nucleation of domains: whiskers. Barkhausen effect. Preisach-type models. External stresses. Minor hysteresis loops. 8. Thermal Effects Associated with the Hysteresis Loop. 9. Soft Magnetic Materials. 10. Time Effects. 11. Thin Films. 8. Antiferromagnetism. 1. Introduction. 2. Neutron Diffraction Studies. 3. Molecular Field Theory of Antiferromagnetism. Behavior above the Neel temperature. The Neel temperature. Susceptibility below the Neel temperature. Sublattice arrangements. The paramagnetic-antiferromagnetic transition in the presence of an applied magnetic field. Thermal effects. 4. Some Experimental Results for Antiferromagnetic Compounds. 5. The Indirect Exchange Interaction. 6. More Advanced Theories of Antiferromagnetism. The series expansion method. The Bethe-Peierls-Weiss method. Spin waves. 7. Crystalline Anisotropy: Spin Flopping. 8. Metals and Alloys. 9. Canted Spin Arrangements. 10. Domains in Antiferromagnetic Materials. 11. Interfacial Exchange Anisotropy. 9. Ferrimagnetism. 1. Introduction. 2. The Molecular Field Theory of Ferrimagnetism. Paramagnetic region. The ferrimagnetic Neel temperature. Spontaneous magnetization. Extension to include additional molecular fields. Triangular and other spin arrangements. Three sublattice systems. Ferromagnetic interaction between sublattices. 3. Spinels. 4. Garnets. 5. Other Ferrimagnetic Materials. 6. Some Quantum Mechanical Results. 7. Soft Ferrimagnetic Materials. 8. Some Topics in Geophysics. 10. Resonance in Strongly Coupled Dipole Systems. 1. Introduction. 2. Magnetomechanical Effects. 3. Ferromagnetic Resonance. 4. Energy Formulation of the Equations of Motion. 5. Resonance in Ferromagnetic Metals and Alloys. 6. Ferromagnetic Resonance of Poor Conductors. 7. Magnetostatic Modes. 8. Relaxation Processes. Relaxation via spin waves in insulators. Relaxation via spin waves in conductors. Fast relaxation via paramagnetic ions. Slow relaxation via electron redistribution. 9. Nonlinear Effects. 10. Spin-Wave Spectra of Thin Films. 11. Electromagnetic Wave Propagation in Gyromagnetic Media. 12. Resonance in Unsaturated Samples. 13. Ferrimagnetic Resonance. 14. Antiferromagnetic Resonance. 15. Nuclear Magnetic Resonance in Ordered Magnetic Materials. 16. The Mossbauer Effect. Appendix I. Systems of Units. Appendix II. Demagnetization Factors for Ellipsoids of Revolution. Appendix III. Periodic Table of the Elements. Appendix IV. Numerical Values for Some Important Physical Constants. Author Index. Subject Index.

    £147.56

  • Physical Chemistry of Semiconductor Materials and

    John Wiley & Sons Inc Physical Chemistry of Semiconductor Materials and

    Book SynopsisThe development of solid state devices began a little more than a century ago, with the discovery of the electrical conductivity of ionic solids. Today, solid state technologies form the background of the society in which we live.Table of ContentsPreface ix 1. Thermodynamics of Homogeneous and Heterogeneous Semiconductor Systems 1 1.1 Introduction 1 1.2 Basic Principles 2 1.3 Phases and Their Properties 7 1.3.1 Structural Order of a Phase 7 1.4 Equations of State of Thermodynamic Systems 11 1.4.1 Thermodynamic Transformations and Functions of State 11 1.4.2 Work Associated with a Transformation, Entropy and Free Energy 12 1.4.3 Chemical Potentials 14 1.4.4 Free Energy and Entropy of Spontaneous Processes 15 1.4.5 Effect of Pressure on Phase Transformations, Polymorphs/Polytypes Formation and Their Thermodynamic Stability 16 1.4.6 Electrochemical Equilibria and Electrochemical Potentials of Charged Species 21 1.5 Equilibrium Conditions of Multicomponent Systems Which Do Not React Chemically 23 1.6 Thermodynamic Modelling of Binary Phase Diagrams 28 1.6.1 Introductory Remarks 28 1.6.2 Thermodynamic Modelling of Complete and Incomplete Miscibility 29 1.6.3 Thermodynamic Modelling of Intermediate Compound Formation 40 1.6.4 Retrograde Solubility, Retrograde Melting and Spinodal Decomposition 40 1.7 Solution Thermodynamics and Structural and Physical Properties of Selected Semiconductor Systems 43 1.7.1 Introductory Remarks 43 1.7.2 Au-Ag and Au-Cu Alloys 45 1.7.3 Silicon and Germanium 49 1.7.4 Silicon-Germanium Alloys 53 1.7.5 Silicon- and Germanium-Binary Alloys with Group III and Group IV Elements 55 1.7.6 Silicon-Tin and Germanium-Tin Alloys 61 1.7.7 Carbon and Its Polymorphs 62 1.7.8 Silicon Carbide 67 1.7.9 Selenium-Tellurium Alloys 69 1.7.10 Binary and Pseudo-binary Selenides and Tellurides 71 1.7.11 Arsenides, Phosphides and Nitrides 81 1.8 Size-Dependent Properties, Quantum Size Effects and Thermodynamics of Nanomaterials 93 Appendix 98 Use of Electrochemical Measurements for the Determination of the Thermodynamic Functions of Semiconductors 98 References 103 2. Point Defects in Semiconductors 117 2.1 Introduction 117 2.2 Point Defects in Ionic Solids: Modelling the Electrical Conductivity of Ionic Solids by Point Defects-Mediated Charge Transfer 119 2.3 Point Defects and Impurities in Elemental Semiconductors 127 2.3.1 Introduction 127 2.3.2 Vacancies and Self-Interstitials in Semiconductors with the Diamond Structure: an Attempt at a Critical Discussion of Their Thermodynamic and Transport Properties 129 2.3.3 Effect of Defect–Defect Interactions on Diffusivity: Trap-and-Pairing Limited Diffusion Processes 145 2.3.4 Light Impurities in Group IV Semiconductors: Hydrogen, Carbon, Nitrogen, Oxygen and Their Reactivity 153 2.4 Defects and Non-Stoichiometry in Compound Semiconductors 167 2.4.1 Structural and Thermodynamic Properties 167 2.4.2 Defect Identification in Compound Semiconductors 171 2.4.3 Non-Stoichiometry in Compound Semiconductors 171 References 181 3. Extended Defects in Semiconductors and Their Interactions with Point Defects and Impurities 195 3.1 Introduction 195 3.2 Dislocations in Semiconductors with the Diamond Structure 196 3.2.1 Geometrical Properties 196 3.2.2 Energy of Regular Straight Dislocations 201 3.2.3 Dislocation Motion 203 3.2.4 Dislocation Reconstruction 205 3.2.5 Electronic Structure of Dislocations in Si and Ge, Theoretical Studies and Experimental Evidences 208 3.3 Dislocations in Compound Semiconductors 215 3.3.1 Electronic Structure of Dislocations in Compound Semiconductors 216 3.4 Interaction of Defects and Impurities with Extended Defects 219 3.4.1 Introduction 219 3.4.2 Thermodynamics of Defect Interactions with Extended Defects 220 3.4.3 Thermodynamics of Interaction of Neutral Defects and Impurities with EDs 221 3.4.4 Kinetics of Interaction of Point Defects, Impurities and Extended Defects: General Concepts 228 3.4.5 Kinetics of Interaction Reactions: Reaction Limited Processes 230 3.4.6 Kinetics of Interaction Reactions: Diffusion-Limited Reactions 230 3.5 Interaction of Atomic Defects with Extended Defects: Theoretical and Experimental Evidence 232 3.5.1 Interaction of Point Defects with Extended Defects 232 3.5.2 Hydrogen-Dislocation Interaction in Silicon 233 3.5.3 Interaction of Oxygen with Dislocations 235 3.6 Segregation of Impurities at Surfaces and Interfaces 236 3.6.1 Introduction 236 3.6.2 Grain Boundaries in Polycrystalline Semiconductors 236 3.6.3 Structure of Grain Boundaries and Their Physical Properties 239 3.6.4 Segregation of Impurities at Grain Boundaries and Their Influence on Physical Properties 241 3.7 3D Defects: Precipitates, Bubbles and Voids 243 3.7.1 Thermodynamic and Structural Considerations 243 3.7.2 Oxygen and Carbon Segregation in Silicon 246 3.7.3 Silicides Precipitation 249 3.7.4 Bubbles and Voids 249 References 251 4. Growth of Semiconductor Materials 265 4.1 Introduction 265 4.2 Growth of Bulk Solids by Liquid Crystallization 266 4.2.1 Growth of Single Crystal and Multicrystalline Ingots by Liquid Phase Crystallization 268 4.2.2 Growth of Single Crystals or Multicrystalline Materials by Liquid Crystallization Processes: Impact of Environmental Interactions on the Chemical Quality 274 4.2.3 Growth of Bulk Solids by Liquid Crystallization Processes: Solubility of Impurities in Semiconductors and Their Segregation 287 4.2.4 Growth of Bulk Solids by Liquid Crystallization Processes: Pick-Up of Impurities 290 4.2.5 Constitutional Supercooling 295 4.2.6 Growth Dependence of the Impurity Pick-Up and Concentration Profiling 298 4.2.7 Purification of Silicon by Smelting with Al 299 4.3 Growth of Ge-Si Alloys, SiC, GaN, GaAs, InP and CdZnTe from the Liquid Phase 300 4.3.1 Growth of Si-Ge Alloys 301 4.3.2 Growth of SiC from the Liquid Phase 303 4.3.3 Growth of GaN from the Liquid Phase 304 4.3.4 Growth of GaAs, InP, ZnSe and CdZnTe 309 4.4 Single Crystal Growth from the Vapour Phase 318 4.4.1 Generalities 318 4.4.2 Growth of Silicon, ZnSe and Silicon Carbide from the Vapour Phase 319 4.4.3 Epitaxial Growth of Single Crystalline Layers of Elemental and Compound Semiconductors 323 4.5 Growth of Poly/Micro/Nano-Crystalline Thin Film Materials 332 4.5.1 Introduction 332 4.5.2 Growth of Nanocrystalline/Microcrystalline Silicon 334 4.5.3 Growth of Silicon Nanowires 337 4.5.4 Growth of Films of CdTe and of Copper Indium (Gallium) Selenide (CIGS) 342 References 345 5. Physical Chemistry of Semiconductor Materials Processing 363 5.1 Introduction 363 5.2 Thermal Annealing Processes 364 5.2.1 Thermal Decomposition of Non-stoichiometric Amorphous Phases for Nanofabrication Processes 367 5.2.2 Other Problems of a Thermodynamic or Kinetic Nature 369 5.3 Hydrogen Passivation Processes 372 5.4 Gettering and Defect Engineering 376 5.4.1 Introduction 376 5.4.2 Thermodynamics of Gettering 377 5.4.3 Physics and Chemistry of Internal Gettering 378 5.4.4 Physics and Chemistry of External Gettering 382 5.5 Wafer Bonding 390 References 391 Index 399

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    John Wiley & Sons Inc Fundamentals and Applications of Organic

    Book SynopsisThis textbook is an accessible overview of the broad field of organic electrochemistry, covering the fundamentals and applications of contemporary organic electrochemistry. The book begins with an introduction to the fundamental aspects of electrode electron transfer and methods for the electrochemical measurement of organic molecules. It then goes on to discuss organic electrosynthesis of molecules and macromolecules, including detailed experimental information for the electrochemical synthesis of organic compounds and conducting polymers. Later chapters highlight new methodology for organic electrochemical synthesis, for example electrolysis in ionic liquids, the application to organic electronic devices such as solar cells and LEDs, and examples of commercialized organic electrode processes. Appendices present useful supplementary information including experimental examples of organic electrosynthesis, and tables of physical data (redox potentials of various organic solvents and organic compounds and physical properties of various organic solvents).Table of ContentsAbout the Authors vii Preface ix Introduction xiToshio Fuchigami 1 Fundamental Principles of Organic Electrochemistry: Fundamental Aspects of Electrochemistry Dealing with Organic Molecules 1Mahito Atobe 2 Method for Study of Organic Electrochemistry: Electrochemical Measurements of Organic Molecules 11Mahito Atobe 3 Methods for Organic Electrosynthesis 33Toshio Fuchigami 4 Organic Electrode Reactions 45Toshio Fuchigami 5 Organic Electrosynthesis 83Toshio Fuchigami and Shinsuke Inagi 6 New Methodology of Organic Electrochemical Synthesis 129Toshio Fuchigami, Mahito Atobe and Shinsuke Inagi 7 Related Fields of Organic Electrochemistry 187Shinsuke Inagi and Toshio Fuchigami 8 Examples of Commercialized Organic Electrode Processes 199Toshio Fuchigami Appendix A: Examples of Organic Electrosynthesis 209 Appendix B: Tables of Physical Data 217 Index 223

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    John Wiley & Sons Inc AtomicScale Modelling of Electrochemical Systems

    3 in stock

    Book SynopsisAtomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemicaTable of ContentsPart I 1 1 Introduction to Atomic Scale Electrochemistry 3Marko M. Melander, Tomi Laurila, and Kari Laasonen 1.1 Background 3 1.2 The thermodynamics of electrified interface 4 1.2.1 Electrode 6 1.2.2 Electrical double layer 7 1.2.3 Solvation sheets 8 1.2.4 Electrode potential 8 1.3 Chemical interactions between the electrode and redox species 12 1.4 Reaction kinetics at electrochemical interfaces 13 1.4.1 Outer and inner sphere reactions 13 1.4.2 Computational aspects 16 1.4.3 Challenges 17 1.5 Charge transport 18 1.6 Mass transport to the electrode 18 1.7 Summary 19 References 20 Part II 25 2 Retrospective and Prospective Views of Electrochemical Electron Transfer Processes: Theory and Computations 27Renat R. Nazmutdinov and Jens Ulstrup 2.1 Introduction – interfacial molecular electrochemistry in recent retrospective 27 2.1.1 An electrochemical renaissance 27 2.1.2 A bioelectrochemical renaissance 27 2.2 Analytical theory of molecular electrochemical ET processes 28 2.2.1 A Reference to molecular ET processes in homogeneous solution 28 2.2.2 Brief discussion of contemporary computational approaches 30 2.2.3 Molecular electrochemical ET processes and general chemical rate theory 31 2.2.4 Some electrochemical ET systems at metal electrodes 35 2.2.4.1 Some outer sphere electrochemical ET processes 35 2.2.4.2 Dissociative ET: the electrochemical peroxodisulfate reduction 38 2.2.5 d-band, cation, and spin catalysis 39 2.2.6 New solvent environments in simple electrochemical ET processes – ionic liquids 40 2.2.7 Proton transfer, proton conductivity, and proton coupled electron transfer (PCET) 40 2.2.7.1 Some further notes on the nature of PT/PCET processes 44 2.2.7.2 The electrochemical hydrogen evolution reaction, and the Tafel plot on mercury 44 2.3 Ballistic and stochastic (Kramers-Zusman) chemical rate theory 45 2.4 Early and recent views on chemical and electrochemical long-range ET 50 2.5 Molecular-scale electrochemical science 53 2.5.1 Electrochemical in situ STM and AFM 53 2.5.2 Nanoscale mapping of novel electrochemical surfaces 54 2.5.2.1 Self-assembled molecular monolayers (SAMs) of functionalized thiol [192–194] 54 2.5.3 Electrochemical single-molecule ET and conductivity of complex molecules 56 2.5.4 Selected cases of in situ STM and STS of organic and inorganic redox molecules 58 2.5.4.1 The viologens 58 2.5.4.2 Transition metal complexes as single-molecule in operando STM targets 59 2.5.5 Other single-entity nanoscale electrochemistry 61 2.5.5.1 Electrochemistry in low-dimensional carbon confinement 61 2.5.5.2 Electrochemistry of nano- and molecular-scale metallic nanoparticles 62 2.5.6 Elements of nanoscale and single-molecule bioelectrochemistry 63 2.5.6.1 A single-molecule electrochemical metalloprotein target – P. aeruginosa azurin 63 2.5.6.2 Electrochemical SPMs of metalloenzymes, and some other “puzzles” 65 2.6 Computational approaches to electrochemical surfaces and processes revisited 67 2.6.1 Theoretical methodologies and microscopic structure of electrochemical interfaces 67 2.6.2 The electrochemical process revisited 68 2.7 Quantum and computational electrochemistry in retrospect and prospect 69 2.7.1 Prospective conceptual challenges in quantum and computational electrochemistry 70 2.7.2 Prospective interfacial electrochemical target phenomena 71 2.7.2.1 Some conceptual, theoretical, and experimental notions and challenges 71 2.7.2.2 Non-traditional electrode surfaces and single-entity structure and function 71 2.7.2.3 Semiconductor and semimetal electrodes 72 2.7.2.4 Metal deposition and dissolution processes 72 2.7.2.5 Chiral surfaces and ET processes of chiral molecules 72 2.7.2.6 ET reactions involving hot electrons (femto-electrochemistry) 73 2.8 A few concluding remarks 73 Acknowledgement 74 References 74 Part III 93 3 Continuum Embedding Models for Electrolyte Solutions in First-Principles Simulations of Electrochemistry 95Oliviero Andreussi, Francesco Nattino, and Nicolas Georg Hörmann 3.1 Introduction to continuum models for electrochemistry 95 3.2 Continuum models of liquid solutions 97 3.2.1 Continuum interfaces 98 3.2.2 Beyond local interfaces 103 3.2.3 Electrostatic interaction: polarizable dielectric embedding 105 3.2.4 Beyond electrostatic interactions 107 3.3 Continuum diffuse-layer models 109 3.3.1 Continuum models of electrolytes 109 3.3.2 Helmholtz double-layer model 110 3.3.3 Poisson–Boltzmann model 111 3.3.4 Size-modified Poisson–Boltzmann model 113 3.3.5 Stern layer and additional interactions 114 3.3.6 Performance of the diffuse-layer models 114 3.4 Grand canonical simulations of electrochemical systems 118 3.4.1 Thermodynamics of interfaces 119 3.4.2 Ab-initio based thermodynamics of electrochemical interfaces 121 3.4.3 Grand canonical simulations and the CHE approximation 123 3.5 Selected applications 126 Acknowledgments 129 References 129 4 Joint and grand-canonical density-functional theory 139Ravishankar Sundararaman and Tomás A. Arias 4.1 Introduction 139 4.2 JDFT variational theorem and framework 142 4.2.1 Variational principle and underlying theorem 142 4.2.2 Separation of effects and regrouping of terms 146 4.2.3 Practical functionals and universal form for coupling 147 4.3 Classical DFT with atomic-scale structure 148 4.3.1 Ideal gas functionals with molecular geometry 149 4.3.1.1 Effective ideal gas potentials 149 4.3.1.2 Integration over molecular orientations 150 4.3.1.3 Auxiliary fields 151 4.3.2 Minimal excess functionals for molecular fluids 152 4.4 Continuum solvation models from JDFT 157 4.4.1 JDFT linear response: nonlocal ‘SaLSA’ solvation 158 4.4.2 JDFT local limit: nonlinear continuum solvation 160 4.4.3 Hybrid semi-empirical approaches: ‘CANDLE’ solvation 163 4.5 Grand-canonical DFT 164 4.6 Conclusions 168 References 169 5 Ab initio modeling of electrochemical interfaces and determination of electrode potentials 173Jia-Bo Le, Xiao-Hui Yang, Yong-Bing Zhuang, Feng Wang, and Jun Cheng 5.1 Introduction 173 5.2 Theoretical background of electrochemistry 175 5.2.1 Definition of electrode potential 175 5.2.2 Absolute potential energy of SHE 178 5.3 Short survey of computational methods for modeling electrochemical interfaces 179 5.4 Ab initio determination of electrode potentials of electrochemical interfaces 180 5.4.1 Work function based methods 180 5.4.1.1 Vacuum reference 180 5.4.1.2 Vacuum reference in two steps 181 5.4.2 Reference electrode based methods 183 5.4.2.1 Computational standard hydrogen electrode 183 5.4.2.2 Computational standard hydrogen electrode in two steps 185 5.4.2.3 Computational Ag/AgCl reference electrode 187 5.5 Computation of potentials of zero charge 187 5.6 Summary 190 Acknowledgement 191 References 191 6 Molecular Dynamics of the Electrochemical Interface and the Double Layer 201Axel Groß 6.1 Introduction 201 6.2 Continuum description of the electric double layer 202 6.3 Equilibrium coverage of metal electrodes 204 6.4 First-principles simulations of electrochemical interfaces and electric double layers 209 6.5 Electric double layers at battery electrodes 213 6.6 Conclusions 216 Acknowledgement 216 References 217 7 Atomic-Scale Modelling of Electrochemical Interfaces through Constant Fermi Level Molecular Dynamics 221Assil Bouzid and Alfredo Pasquarello 7.1 Introduction 221 7.2 Method 222 7.3 CFL-MD in aqueous solution: Determination of redox levels 223 7.4 CFL-MD at metal-water interface: The case of the Volmer reaction 228 7.5 Referencing the bias potential to the SHE 230 7.6 Macroscopic properties at the metal-water interface 232 7.7 Atomic-scale processes at the metal-water interface 236 7.8 Conclusion 238 Acknowledgements 238 References 239 Part IV 241 8 From electrons to electrode kinetics: A tutorial review 243Stephen Fletcher 8.1 Global electro-neutrality 243 8.2 The electrochemical reference state 243 8.3 The chemical potential 246 8.4 The electrostatic potential 246 8.5 The electrochemical potential 246 8.5.1 The molar electrochemical potential 248 8.5.2 The electrochemical potential of a single electron 248 8.5.3 The Nernst equation 248 8.5.4 Fermi–Dirac distribution function 250 8.5.5 The molar electrochemical potential of an electron 251 8.5.6 Parsing the electrochemical potential. (I) Metal in a vacuum 251 8.5.7 The Volta potential difference 252 8.5.8 Scanning Kelvin Probe Microscopy 253 8.5.9 The membrane potential 254 8.5.10 The electrochemical potential of a single proton 254 8.5.11 The proton motive force 255 8.5.12 The standard hydrogen half-cell 256 8.5.13 The hydrated electron 257 8.5.14 The hydrogen atom H* 258 8.5.15 Parsing the electrochemical potential. (II) The co-sphere 258 8.5.16 Electron transfer (general introduction) 259 8.5.17 Johnson–Nyquist noise 260 8.5.18 The Molar Gibbs reorganization energy 260 8.5.19 The reaction co-ordinate 261 8.5.20 The vertical energy gap 261 8.5.21 Permittivity of solutions 263 8.6 Electrolytes and non-electrolytes 263 8.6.1 Equivalent circuit of a non-electrolyte solution 265 8.6.2 Equivalent circuit of an electrolyte solution 265 8.6.3 Probability of an electron jump 266 8.6.4 The Klopman–Salem equation 267 8.6.5 Electrode kinetics 268 8.6.6 Homogeneous kinetics, first order 269 8.6.7 Homogeneous kinetics, second order 269 8.6.8 Homogeneous versus heterogeneous kinetics 270 8.6.9 Tunneling layer approximation 271 8.6.10 The back of the envelope 272 8.6.11 The total rate constant of an electron transfer process 273 8.7 Heterogeneous electron transfer 275 8.7.1 Tafel slopes for multi-step reactions 278 8.8 The future: supercatalysis by superexchange 280 References 282 9 Constant potential rate theory – general formulation and electrocatalysis 287Marko M. Melander 9.1 Kinetics at electrochemical interfaces 287 9.2 Rate theory in the grand canonical ensemble 288 9.3 Adiabatic reactions 289 9.3.1 Classical nuclei 289 9.3.2 Fixed potential empirical valence bond theory 290 9.3.3 Nuclear tunneling 291 9.4 Non-adiabatic reactions 292 9.4.1 Non-adiabatic reactions in electrochemistry 292 9.4.2 Rate of ET and CPET reactions 293 9.5 Computational aspects 295 9.6 Conclusions 296 References 297 Part V 301 10 Thermodynamically consistent free energy diagrams with the solvated jellium method 303Georg Kastlunger, Per Lindgren, and Andrew A. Peterson 10.1 Computational studies of electrochemical systems – Recent advances and modern challenges 303 10.2 Thermodynamic consistency with a decoupled computational electrode model 305 10.3 Solvated jellium method (SJM) 308 10.3.1 Introduction 308 10.3.2 Electrostatic potential profiles and charge localization 309 10.3.3 Workflow of potential equilibration 313 10.3.4 Shape of the jellium background charge 319 10.4 Example: Mechanistic studies of the hydrogen evolution reaction (HER) 319 10.4.1 Potential dependence of the elementary steps of HER 320 10.4.2 Charge transfer along reaction trajectories 323 10.4.3 Thermodynamically consistent free energy diagrams from first principles 323 References 326 11 Generation of Computational Data Sets for Machine Learning Applied to Battery Materials 329Arghya Bhowmik, Felix Tim Bölle, Ivano E. Castelli, Jin Hyun Chang, Juan Maria García Lastra, Nicolai Rask Mathiesen, Alexander Sougaard Tygesen, and Tejs Vegge 11.1 Introduction 329 11.2 Computational workflows for production of moderate-fidelity data sets 330 11.2.1 Ionic diffusion: NEB calculations 333 11.2.1.1 Symmetric NEB 333 11.2.1.2 Choice of functionals for NEB 335 11.2.2 Disordered materials: Cluster Expansion 337 11.3 High-Fidelity data sets: Ab initio molecular dynamics simulations 340 11.4 Machine Learning 343 Acknowledgements 346 References 346 Index 355

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    Springer The Handbook of Graphene Electrochemistry

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    Springer Nature Switzerland AG Nanostructured Metal-Oxide Electrode Materials

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    Springer Battery Management Systems: Design by Modelling

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    Springer Verlag, Singapore Construction Principles and Controllable

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    Springer Verlag, Singapore Controllable Synthesis and Atomic Scale

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    Springer Verlag, Singapore From Intrinsic to Extrinsic Design of Lithium-Ion

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    Book SynopsisThis book addresses the comprehensive understanding of Ni-rich layered oxide of lithium-ion batteries cathodes materials, especially focusing on the effect of dopant on the intrinsic and extrinsic effect to its host materials. This book can be divided into three parts, that is, 1. overall understanding of layered oxide system, 2. intrinsic effect of dopant on layered oxides, and 3. extrinsic effect of dopant on layered oxides. To truly understand and discover the fundamental solution (e.g. doping) to improve the Ni-rich layered oxides cathodic performance, understanding the foundation of layered oxide degradation mechanism is the key, thus, the first chapter focuses on discovering the true degradation mechanisms of layered oxides systems. Then, the second and third chapter deals with the effect of dopant on alleviating the fundamental degradation mechanism of Ni-rich layered oxides, which we believe is the first insight ever been provided. The content described in this book will provide research insight to develop high-performance Ni-rich layered oxide cathode materials and serve as a guide for those who study energy storage systems. ​Table of ContentsChapter 1. General Background............................................. 1 1.1.Overview: Layered oxide for Li-ion batteries cathode ............. 1 1.2.Crystal structure and electronic configuration of layered cathodes....................... ............. ............. ............................ 3 1.3.Fatigue mechanisms and challenges....................................6 1.3.1. Surface reconstruction layer (cation mixing) 7 1.3.2. Vulnerable thermal characteristics 11 1.3.3. State-of-charge heterogeneity 16 1.3.4. Intergranular cracks 19 1.3.5. Intragranular cracks 23 1.3.6. Brief overview on the characterization techniques to observe NCM degradations 26 1.4.Aim and strategies....................................................... 29 1.4.1. Bulk doping 29 1.4.2. Coating methods 39 1.4.3. Other methods 46 1.5. Conclusion and future perspectives.................................. 51 Chapter 2. Intrinsic design of Ni-rich layered cathode for Lithium ion batteries............................................................ 61 2.1. Mitigation of Oxygen Oxidation through Zr Doping in Ni-rich Layered Oxide..................................... ...................................................62 2.1.1. Introduction 62 2.1.2. Results and discussion 64 2.1.3. Conclusion 75 2.1.4. Experimental 76 2.1.5. References 88 Chapter 3. Extrinsic design of Ni-rich layered cathode for Lithium ion batteries .............................................................................95 3.1. Kinetically Stabilizing the Mother Texture Inherited Ni-rich Layered Oxide via DopingStrategy.................................................................................96 3.1.1. Introduction 96 3.1.2. Results 99 3.1.3. Discussion 106 3.1.4. Conclusion 109 3.1.5. Experimental 110 3.1.6. References 124 3.2. New Insight into Microstructure Engineering of Ni-rich Layered Oxide Cathode for High Performance Lithium Ion Batteries.. ...........................................128 3.2.1. Introduction 128 3.2.2. Results and discussion 130 3.2.3. Conclusion 142 3.2.4. Experimental 143 3.2.5. References 158 ​

    1 in stock

    £104.49

  • Understanding Voltammetry: Problems And Solutions

    Imperial College Press Understanding Voltammetry: Problems And Solutions

    1 in stock

    Book SynopsisThe field of electrochemical measurement, with respect to thermodynamics, kinetics and analysis, is widely recognised but the subject can be unpredictable to the novice, even if they have a strong physical and chemical background, especially if they wish to pursue quantitative measurements. Accordingly, some significant experiments are, perhaps wisely, never attempted, while the literature is sadly replete with flawed attempts at rigorous voltammetry.This book presents problems and worked solutions for a wide range of theoretical and experimental subjects in the field of voltammetry. The reader is assumed to have knowledge up to a Master's level of physical chemistry, but no exposure to electrochemistry in general, or voltammetry in particular, is required. The problems included range in difficulty from senior undergraduate to research level, and develop important practical approaches in voltammetry.The problems presented in the earlier chapters focus on the fundamental theories of thermodynamics, electron transfer and diffusion. Voltammetric experiments and their analysis are then considered, including extensive problems on both macroelectrode and microelectrode voltammetry. Convection, hydrodynamic electrodes, homogeneous kinetics, adsorption and electroanalytical applications are discussed in the later chapters, as well as problems on two rapidly developing fields of voltammetry: weakly supported media and nanoscale electrodes.There is huge interest in the experimental procedure of voltammetry at present, and yet no dedicated question and answer book with exclusive voltammetric focus exists, in spite of the inherent challenges of the subject. This book aims to fill that niche.Table of ContentsProblems and Solutions on: Equilibrium Electrochemistry and the Nernst Equation; Electrode Kinetics; Diffusion; Cyclic Voltammetry at Macroelectrodes; Voltammetry at Microelectrodes; Voltammetry at Heterogeneous Surfaces; Cyclic Voltammetry: Coupled Homogeneous Kinetics and Adsorption; Hydrodynamic Electrodes; Voltammetry for Electroanalysis; Voltammetry in Weakly Supported Media: Migration and Other Effects; Voltammetry at the Nanoscale.

    1 in stock

    £40.00

  • PhotoElectrochemical Ammonia Synthesis

    Taylor & Francis Ltd PhotoElectrochemical Ammonia Synthesis

    15 in stock

    a huge range and FREE tracked UK delivery on ALL orders.

    15 in stock

    £68.39

  • Multinary Alloys Based on IIIV Semiconductors

    Taylor & Francis Ltd Multinary Alloys Based on IIIV Semiconductors

    15 in stock

    a huge range and FREE tracked UK delivery on ALL orders.

    15 in stock

    £43.69

  • Taylor & Francis Ltd Microelectronic Packaging

    15 in stock

    a huge range and FREE tracked UK delivery on ALL orders.

    15 in stock

    £237.50

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