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Informationen zum Autor 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. Klappentext Wiley Series on Electrocatalysis and ElectrochemistryFuel Cell Catalysis A Surface Science ApproachA Core reference on fuel cell catalysisFuel 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 catalystsThis 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. Zusammenfassung Fuel cells represent an important alternative energy source. This seminal work brings together world leaders in the field to provide a unique combination of state-of-the-art theory and computational and experimental methods, emphasizing molecular understanding of fuel cell catalysis. It covers fundamental principles and future challenges. Inhaltsverzeichnis Preface to the Wiley Series on Electrocatalysis and Electrochemistry vii Preface ix List of Contributors xi 1. Electrocatalysis of Oxygen Reduction in Polymer Electrolyte Fuel Cells: A Brief History and a Critical Examination of Present Theory and Diagnostics 1 Shimshon Gottesfeld 2. Electrochemical Electron Transfer: From Marcus Theory to Electrocatalysis 31 E. Santos and W. Schmickler 3. Electrocatalysis and Catalyst Screening from Density Functional Theory Calculations 57 J. Rossmeisl, J. Greeley, and G.S. Karlberg 4. 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 5. Ab Initio Atomistic Thermodynamics for Fuel Cell Catalysis 129 Timo Jacob 6. 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 7. 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 ...
