This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences, US Department of Energy (contract no. DE-AC03–76SF00098), by The Danish Research Council through the NABIIT program, and by the Danish Center for Scientific Computing (grant no. HDW-1103-06). J.G. acknowledges a H. C. Ørsted Postdoctoral Fellowship from the Technical University of Denmark. N.M.M. acknowledges support from the US Department of Energy under contract W-31-109-ENG-38.
Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure†
Article first published online: 5 APR 2006
Copyright © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 45, Issue 18, pages 2897–2901, April 28, 2006
How to Cite
Stamenkovic, V., Mun, B. S., Mayrhofer, K. J. J., Ross, P. N., Markovic, N. M., Rossmeisl, J., Greeley, J. and Nørskov, J. K. (2006), Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure. Angew. Chem. Int. Ed., 45: 2897–2901. doi: 10.1002/anie.200504386
- Issue published online: 21 APR 2006
- Article first published online: 5 APR 2006
- Manuscript Revised: 6 FEB 2006
- Manuscript Received: 9 DEC 2005
- density functional calculations;
Going platinum: The theoretical description of electrocatalytic phenomena is extremely challenging. A simple, density functional theory based model has been developed that is able to give a semiquantitative description of the reaction kinetics for the electrocatalytic oxygen reduction on several platinum binary alloys, Pt3M (see graph).