期刊
JOURNAL OF CATALYSIS
卷 209, 期 2, 页码 275-278出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1006/jcat.2002.3615
关键词
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Based on an extensive set of density functional theory calculations it is shown that for a class of catalytic reactions there is a universal, reactant independent relation between the reaction activation energy and the stability of reaction intermediates. This leads directly to a universal relationship between adsorption energies and catalytic activity, which is used to pinpoint what it is that determines the best catalyst for a given reaction. The universality principle rationalizes a number of known facts about catalysts and points to new ways of improving them. (C) 2002 Elsevier Science (USA).
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