Theory and Experiment in Electrocatalysis

✍ Scribed by Stephanus Axnanda, Kyle D. Cummins (auth.), Perla B. Balbuena, Venkat R. Subramanian (eds.)

• Publisher: Springer-Verlag New York
• Year: 2010
• Tongue: English
• Leaves: 603
• Series: Modern Aspects of Electrochemistry 50
• Edition: 1
• Category: Library

✦ Synopsis

Topics in Number 50 include:

• Investigation of alloy cathode Electrocatalysts

• A model Hamiltonian that incorporates the solvent effect to gas-phase density functional theory (DFT) calculations

• DFT-based theoretical analysis of ORR mechanisms

• Structure of the polymer electrolyte membranes (PEM)

• ORR investigated through a DFT-Green function analysis of small clusters

• Electrocatalytic oxidation and hydrogenation of chemisorbed aromatic compounds on palladium

Electrodes

• New models that connect the continuum descriptions with atomistic Monte Carlo simulations

• ORR reaction in acid revisited through DFT studies that address the complexity of Pt-based alloys in electrocatalytic processes

• Use of surface science methods and electrochemical techniques to elucidate reaction mechanisms in electrocatalytic processes

• In-situ synchrotron spectroscopy to analyze electrocatalysts dispersed on nanomaterials

From reviews of previous volumes:

“Continues the valuable service that has been rendered by the Modern Aspects series.” —Journal of Electroanalytical Chemistry

“Extremely well-referenced and very readable.... Maintains the overall high standards of the series.” —Journal of the American Chemical Society

✦ Table of Contents

Front Matter....Pages 1-1
Characterization of Alloy Electrocatalysts by Combined Low-Energy Ion Scattering Spectroscopy and Electrochemistry....Pages 1-23
Recent Advances in Theoretical Aspects of Electrocatalysis....Pages 25-88
Computational Simulations on the Oxygen Reduction Reaction in Electrochemical Systems....Pages 89-132
Molecular-Level Modeling of the Structure and Proton Transport within the Membrane Electrode Assembly of Hydrogen Proton Exchange Membrane Fuel Cells....Pages 133-202
Some Recent Studies on the Local Reactivity of O 2 on Pt 3 Nanoislands Supported on Mono- and Bi-Metallic Backgrounds....Pages 203-242
Methanol Electro-Oxidation by Meth anol Dehydrogenase Enzymatic Catalysts: A Computational Study....Pages 243-274
Electrocatalytic Reactions of Chemisorbed Aromatic Compounds: Studies by ES, DEMS, STM and EC....Pages 275-313
A review of Continuum Electrochemical Engineering Models and a Novel Monte Carlo Approach to Understand Electrochemical Behavior of Lithium-Ion Batteries....Pages 315-349
Challenges in the Design of Active and Durable Alloy Nanocatalysts for Fuel Cells....Pages 351-396
Determination of Reaction Mechanisms Occurring at Fuel Cell Electrocatalysts Using Electrochemical Methods, Spectroelectrochemical Measurements and Analytical Techniques....Pages 397-501
In-Situ Synchrotron Spectroscopic Studies of Electrocatalysis on Highly Dispersed Nano-Materials....Pages 503-572
Back Matter....Pages 13-13

✦ Subjects

Electrochemistry; Catalysis; Nanotechnology; Surfaces and Interfaces, Thin Films