Fuel cells represent an important alternative energy source and
a very active area of research. Fuel Cell Catalysis brings together
world leaders in this field, providing a unique combination of
state-of-the-art theory and computational and experimental methods.
With an emphasis on understanding fuel cell catalysis at the
molecular level, this text covers fundamental principles, future
challenges, and important current research themes.

Fuel Cell Catalysis:

Provides a molecular-level description of catalysis for
low-temperature polymer-electrolyte membrane fuel cells, including
both hydrogen-oxygen cells and direct alcohol cells
Examines catalysis issues of both anode and cathode such as
oxygen reduction, alcohol oxidation, and CO tolerance
Features a timely and forward-looking approach through emphasis
on novel aspects such as computation and bio-inspiration
Reviews the use and potential of surface-sensitive techniques
like vibrational spectroscopy (IR, Raman, nonlinear spectroscopy,
laser), scanning tunneling microscopy, X-ray scattering, NMR,
electrochemical techniques, and more
Reviews the use and potential of such modern computational
techniques as DFT, ab initio MD, kinetic Monte Carlo simulations,
and more
Surveys important trends in reactivity and structure
sensitivity, nanoparticles, "dynamic" catalysis, electrocatalysis
vs. gas-phase catalysis, new experimental techniques, and
nontraditional catalysts

This cutting-edge collection offers a core reference for
electrochemists, electrocatalysis researchers, surface and physical
chemists, chemical and automotive engineers, and researchers in
academia, research institutes, and industry.

Auteur

Marc T. M. Koper obtained his PhD (cum laude) with Professor J. H. Sluyters from Utrecht University in 1994 on "Far-from-equilibrium phenomena in electrochemical systems: instabilities, oscillations and chaos." He is currently a Full Professor in Fundamental Surface Science at Leiden University, where he studies electrochemistry, electrocatalysis, electrochemical surface science, and theoretical and computational electrochemistry.

Résumé

Wiley Series on Electrocatalysis and Electrochemistry

Fuel Cell Catalysis A Surface Science Approach

A Core reference on fuel cell catalysis

Fuel cells represent an important alternative energy source and a very active area of research. Fuel Cell Catalysis brings together world leaders in this field, providing a unique combination of state-of-the-art theory and computational and experimental methods. With an emphasis on understanding fuel cell catalysis at the molecular level, this text covers fundamental principles, future challenges, and important current research themes.

Fuel Cell Catalysis:

Provides a molecular-level description of catalysis for low-temperature polymer-electrolyte membrane fuel cells, including both hydrogen-oxygen cells and direct alcohol cells
Examines catalysis issues of both anode and cathode such as oxygen reduction, alcohol oxidation, and CO tolerance
Features a timely and forward-looking approach through emphasis on novel aspects such as computation and bio-inspiration
Reviews the use and potential of surface-sensitive techniques like vibrational spectroscopy (IR, Raman, nonlinear spectroscopy, laser), scanning tunneling microscopy, X-ray scattering, NMR, electrochemical techniques, and more
Reviews the use and potential of such modern computational techniques as DFT, ab initio MD, kinetic Monte Carlo simulations, and more
Surveys important trends in reactivity and structure sensitivity, nanoparticles, "dynamic" catalysis, electrocatalysis vs. gas-phase catalysis, new experimental techniques, and nontraditional catalysts
This cutting-edge collection offers a core reference for electrochemists, electrocatalysis researchers, surface and physical chemists, chemical and automotive engineers, and researchers in academia, research institutes, and industry.

Contenu

Preface to the Wiley Series on Electrocatalysis and Electrochemistry vii

Preface ix

List of Contributors xi

Electrocatalysis of Oxygen Reduction in Polymer Electrolyte Fuel Cells: A Brief History and a Critical Examination of Present Theory and Diagnostics 1
Shimshon Gottesfeld
Electrochemical Electron Transfer: From Marcus Theory to Electrocatalysis 31
E. Santos and W. Schmickler
Electrocatalysis and Catalyst Screening from Density Functional Theory Calculations 57
J. Rossmeisl, J. Greeley, and G.S. Karlberg
First-Principles Simulation of the Active Sites and Reaction Environment in Electrocatalysis 93
Michael J. Janik, Sally A. Wasileski, Christopher D. Taylor, and Matthew Neurock
Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis 129
Timo Jacob
Mechanisms of the Oxidation of Carbon Monoxide and Small Organic Molecules at Metal Electrodes 159
Marc T.M. Koper, Stanley C.S. Lai, and Enrique Herrero
Clues for the Molecular-Level Understanding of Electrocatalysis on Single-Crystal Platinum Surfaces Modified by p-Block Adatoms 209
V. Climent, N. García-Aráez, and J.M. Feliu
Electrochemistry at Well-Characterized Bimetallic Surfaces 245
Vojislav R. Stamenkovic and Nenad M. Markovic
Recent Developments in the Electrocatalysis of the O 2 Reduction Reaction 271
Ye Xu, Minhua Shao, Manos Mavrikakis, and Radoslav R. Adzic
Electrocatalysis at Platinum and Bimetallic Alloys 317
Masahiro Watanabe and Hiroyuki Uchida
Electrocatalysis for the Direct Alcohol Fuel Cell 343
J.-M. Leger, C. Coutanceau, and C. Lamy
Broadband Sum Frequency Generation Studies of Surface Intermediates Involved in Fuel Cell Electrocatalysis 375
G.Q. Lu, A. Lagutchev, T. Takeshita, R.L. Behrens, Dana D. Dlott, and A. Wieckowski
Methanol, Formaldehyde, and Formic Acid Adsorption/Oxidation on a Carbon-Supported Pt Nanoparticle Fuel Cell Catalyst: A Comparative Quantitative DEMS Study 411
Z. Jusys and R.J. Behm
The Effect of Structurally Well-Defined Pt Modification on the Electrochemical and Electrocatalytic Properties of Ru(0001) Electrodes 465
H.E. Hoster and R.J. Behm
Size Effects in Electrocatalysis of Fuel Cell Reactions on Supported Metal Nanoparticles 507
Frederic Maillard, Sergey Pronkin, and Elena R. Savinova
Support and Particle Size Effects in Electrocatalysis 567
Brian E. Hayden and Jens-Peter Suchsland
Electrocatalysis for Fuel Cells at Enzyme-Modified Electrodes 593
K.A. Vincent, S.C. Barton, G.W. Canters, and H.A. Heering
Metalloporphyrin Catalysts of Oxygen Reduction 637
Roman Boulatov