Ligand effects in heterogeneous catalysis and electrochemistry

被引：539

作者：

Bligaard, T. ^{[1
]}

Norskov, J. K. ^{[1
]}

机构：

[1] Tech Univ Denmark, Ctr Atom Scale Mat Design, Dept Phys, NanoDTU, DK-2800 Lyngby, Denmark

来源：

ELECTROCHIMICA ACTA | 2007年 / 52卷 / 18期

关键词：

trends; alloys; ligand effects; d-band model; electronic structure;

D O I：

10.1016/j.electacta.2007.02.041

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

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.

引用

页码：5512 / 5516

页数：5

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