期刊
ELECTROCHIMICA ACTA
卷 52, 期 18, 页码 5512-5516出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.electacta.2007.02.041
关键词
trends; alloys; ligand effects; d-band model; electronic structure
Ligand effects in surface reactivity are discussed on the basis of extensive density functional theory calculations. The d-band model is reviewed and it is shown that it can be used to rationalize trends in reactivity in heterogeneous catalysis and electrochemistry. (c) 2007 Elsevier Ltd. All rights reserved.
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