Theory and Experiment in Electrocatalysis
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
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Series Editors: Ralph E. White Department of Chemical Engineering University of South Carolina Columbia, SC 29208 Constantinos G. Vayenas Department of Chemical Engineering University of Patras Patras 265 00 Greece Managing Editor: Maria E. Gamboa-Aldeco 1107 Raymer Lane Superior, CO 80027
For further volumes: http://www.springer.com/series/6251
Perla B. Balbuena Venkat R. Subramanian Editors
Theory and Experiment in Electrocatalysis
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Editors Perla B. Balbuena Texas A & M University Department of Chemical Engineering 3122 TAMU College Station, TX 77843 USA [email protected]
Venkat R. Subramanian Washington University, Saint Louis Department of Energy, Environmental, & Chemical Engineering St. Louis, MO 63130 USA [email protected]
ISSN 0076-9924 ISBN 978-1-4419-5593-7 e-ISBN 978-1-4419-5594-4 DOI 10.1007/978-1-4419-5594-4 Springer New York Dordrecht Heidelberg London Library of Congress Control Number: 2010938296 © Springer Science+Business Media, LLC 2010 All rights reserved. This work may not be translated or copied in whole or in part without the written permission of the publisher (Springer Science+Business Media, LLC, 233 Spring Street, New York, NY 10013, USA), except for brief excerpts in connection with reviews or scholarly analysis. Use in connection with any form of information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed is forbidden. The use in this publication of trade names, trademarks, service marks, and similar terms, even if they are not identified as such, is not to be taken as an expression of opinion as to whether or not they are subject to proprietary rights. Printed on acid-free paper Springer is part of Springer Science+Business Media (www.springer.com)
Preface Electrocatalysts are the heart of power devices where electricity is produced via conversion of chemical into electrical energy. Impressive advances in surface science techniques and in first principles computational design are providing new avenues for significant improvement of the overall efficiencies of such power devices, especially because of an increase in the understanding of electrocatalytic materials and processes. For example, the development of high resolution instrumentation including various electron and ion-scattering and in-situ synchrotron spectroscopies, electrochemical scanning tunneling microscopy, and a plethora of new developments in analytical chemistry and electrochemical techniques, permits the detailed characterization of atomic distribution, before, during, and after a reaction takes place, giving unprecedented information about the status of the catalyst during the reaction, and most importantly the time evolution of the exposed catalytic surfaces at the atomistic level. These techniques are complemented by the use of ab initio methods which do not require input from experimental information, and are based on numerical solutions of the time-independent Schrödinger equation including electron-ele
