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Modern Aspects of Electrochemistry : Modern Aspects of Electrochemistry - Costas G. Vayenas

Modern Aspects of Electrochemistry

Modern Aspects of Electrochemistry

By: Costas G. Vayenas (Editor), Brian E. Conway (Editor), Ralph E. White (Editor)

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Published: 30th November 2002
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Topics in Number 36 include:
*Electrochemical nuclear magnetic resonance (EC-NMR). This powerful non-invasive technique brings new insights to both fundamental and practical key aspects of electrocatalysis, including the design of better anodes for PEM fuel cells.
*The recent impressive advances in the use of rigorous ab initio quantum chemical calculations in electrochemistry. This lucid chapter is addressed to all electrochemists, including those with very little prior exposure to quantum chemistry, and demonstrates the usefulness of ab initio calculations, including density functional theory (DFT) methods, to understand several key aspects of fuel cell electrocatalysis at the molecular level.
*The most important macroscopic and statistical thermodynamic models developed to describe adsorption phenomena on electrodes, including the current state of the art adsorption isotherms, which are both rigorous, and in good agreement with experiment.
*Electrochemical promotion i.e., the use of electrochemistry to activate and in situ tune the catalytic activity and selectivity of metal and metal oxide catalysts interfaced with solid electrolytes.
*Lithium transport through transition metal oxides and carbonaceous materials, which is of paramount importance in rechargeable lithium batteries.

From reviews of previous volumes:
"This long-standing series continues its tradition of offering high quality reviews of established and emerging subject areas, together with the less common aspects of electrochemical science[...] Deserves a place in electrochemistry libraries and should prove useful to electrochemists and related workers."
(Chemistry and Industry)
"Continues the valuable service that has been rendered by the Modern Aspects series."
(Journal of Electroanalytical Chemistry)
Will definitely be of much use to researchers in the field of electrochemistry[...] The editors of this well-produced volume deserve all appreciation for maintaining the excellent standard of the series."
(Bulletin of Electrochemistry)
"Extremely well-referenced and very readable[...] Maintains the overall high standards of the series."
(Journal of the American Chemical Society)

From the reviews of the first edition:

"As the most recent volume of a successful series established in 1954 and carefully continued, this book provides a timely collection of review papers covering all aspects of electrochemistry with representative contributions. ... The researcher interested in this field will appreciate the inclusion of fundamental aspects. ... the book is a must for all libraries already owning previous volumes ... ." (Rudolf Holze, Journal of Solid State Electrochemistry, Vol. 9 (4), 2005)

Nanoparticle Surfaces Studied by Electrochemical NMR
Introductionp. 1
Experimentalp. 4
Results and Discussionp. 5
Selected Topics in [superscript 195]Pt-NMRp. 5
Other Pt Nanoparticles (Unsupported and Supported)p. 7
Correlation Between the [superscript 195]Pt NMR Shift and Adsorbates Electronegativityp. 9
Spatially-Resolved Oscillation of the E[subscript f]-LDOS in a Pt Catalystp. 14
[superscript 13]C NMR at the Electrochemical Interfacep. 17
[superscript 13]C NMR Knight Shiftp. 17
EC-NMR Under Potential Controlp. 18
Correlation of NMR to FTIR Datap. 20
Correlation Between Clean Surface E[subscript f]-LDOS of Metals and the Adsorbate Knight Shiftp. 22
NMR Comparison of CO Adsorbed on Pt-Black from Different Sourcesp. 25
Effect of Surface Charge on the Chemisorption Bond: CO Chemisorption on Pdp. 27
Pt Electrodes Modified by Ruthenium: A Study in Tolerancep. 29
EC-NMR of Pt/Ru Alloy Nanoparticlesp. 37
Summary and Conclusionsp. 40
Appendixp. 42
Referencesp. 48
Ab Initio Quantum-Chemical Calculations in Electrochemistry
Introductionp. 51
Ab Initio Quantum Chemistryp. 54
General Aspects of Quantum Chemistry and Electronic Structure Calculationsp. 54
Wave-Function-Based Methodsp. 56
Density Functional Theory Methodsp. 57
Basis Sets and Effective Potentialsp. 60
Structure, Energetics, and Vibrational Frequenciesp. 61
Methods of Analysisp. 61
Ab Initio Molecular Dynamicsp. 63
Selected Applicationsp. 64
Clusters and Slabsp. 64
How to Model the Electrode Potentialp. 65
Chemisorption of Halogens and Halidesp. 67
Chemisorption of Carbon Monoxide on Metals and Alloysp. 78
Field Dependent Chemisorption and the Interfacial Stark Effect: General Relationshipsp. 88
Field-Dependent Chemisorption of Carbon Monoxidep. 98
Chemisorption of Water and Water Dissociation Productsp. 106
Ab Initio Approaches to Modeling Electrode Reactionsp. 115
Outlookp. 125
Referencesp. 127
Macroscopic and Molecular Models of Adsorption Phenomena on Electrode Surfaces
Introductionp. 131
Features of Electrosorption and Factors Affecting Themp. 132
Macroscopic Modelsp. 136
PC Approachp. 136
STE Approachp. 138
Molecular Modelsp. 140
Guidealli's Approachp. 140
Models Based on the LBS Approachp. 145
Complicated Adsorption Phenomenap. 153
Co-Adsorption and Reorientationp. 153
Polylayer Formationp. 161
Surface Segregationp. 164
Phase Transitionsp. 166
Polarization Catastrophe and Other Artifactsp. 171
The Role of the Metal Electrode--The Case of Solid Electrodesp. 177
Computer Simulationp. 182
Conclusionsp. 184
Referencesp. 185
Electrochemical Promotion of Catalysis
Introductionp. 191
The Phenomenon of Electrochemical Promotionp. 193
Description of a Typical Electrochemical Promotion Experimentp. 194
The Mechanism of Electrochemical Promotionp. 197
Promotional Transientsp. 203
Fundamental Studies of Electrochemical Promotionp. 207
Catalytic Model Systemsp. 207
Experimental Aspectsp. 209
Electrochemical Characterization of the Single-Pellet Cellp. 212
Cyclic Voltammetryp. 216
Fast-Galvanostatic Transientsp. 219
Permanent Electrochemical Promotionp. 224
Electrochemical Activation of a Catalystp. 228
Electrochemical Promotion and Catalyst-Support Interactionsp. 230
Work Function Measurementsp. 233
Cell Development for Electrochemical Promotionp. 236
Bipolar Con guration for Electrochemical Promotionp. 236
Ring-Shaped Electrochemical Cellp. 241
Multiple-Channel Electrochemical Cellp. 244
Perspectivesp. 248
Conclusionsp. 250
Referencesp. 252
Mechanisms of Lithium Transport Through Transition Metal Oxides and Carbonaceous Materials
Introductionp. 255
Bird's Eye View of the Models for Current Transients in Lithium Intercalation Systems: Diffusion Controlled Lithium Transportp. 257
The Geometry of the Electrode Surfacep. 259
The Growth of a New Phase in the Electrodep. 260
The Electric Field in the Electrodep. 261
General Perspective on Current Transients from Transition Metal Oxides and Graphitep. 261
Non-Cottrell behavior throughout the Lithium Intercalation/Deintercalationp. 264
Intersection of Anodic and Cathodic Current Transientsp. 267
(Quasi-)Current Plateaup. 268
Depression of the Initial Current Valuep. 273
Physical Origin of the Current Transientsp. 273
Linear Relation Between Current and Electrode Potentialp. 273
Comparison of Cell Resistances Determined by the Current Transient Technique and by Electrochemical Impedance Spectroscopyp. 278
Theoretical Description of Cell-Impedance Controlled Lithium Transportp. 283
Governing Equation and Boundary Conditionp. 283
Calculation Procedure of the Cell-Impedance Controlled Current Transientsp. 284
Theoretical Current Transients and their Comparison with Experimental Current Transientsp. 286
Some Model Parameters Affecting the Shape and Magnitude of the Cell-Impedance Controlled Current Transientsp. 294
Concluding Remarksp. 297
Referencesp. 298
Indexp. 303
Table of Contents provided by Rittenhouse. All Rights Reserved.

ISBN: 9780306474927
ISBN-10: 0306474921
Series: Modern Aspects of Electrochemistry : Book 36
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 310
Published: 30th November 2002
Publisher: Springer Science+Business Media
Country of Publication: US
Dimensions (cm): 23.5 x 15.5  x 2.54
Weight (kg): 1.42