Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

被引：290

作者：

Calle-Vallejo, Federico ^{[1
]}

Inoglu, Nilay G. ^{[2
]}

Su, Hai-Yan ^{[3
]}

Martinez, Jose I. ^{[4
]}

Man, Isabela C. ^{[3
]}

Koper, Marc T. M. ^{[1
]}

Kitchin, John R. ^{[2
]}

Rossmeisl, Jan ^{[3
]}

机构：

[1] Leiden Univ, Leiden Inst Chem, NL-2333 CC Leiden, Netherlands

[2] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA

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

[4] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, ES-28049 Madrid, Spain

来源：

CHEMICAL SCIENCE | 2013年 / 4卷 / 03期

基金：

美国国家科学基金会;

关键词：

OXYGEN EVOLUTION ELECTROCATALYSIS; RUTILE TIO2(110); CO OXIDATION; FUEL-CELLS; CATALYSIS; SURFACES; WATER; TRENDS; PEROVSKITES; PRINCIPLES;

D O I：

10.1039/c2sc21601a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The trends in adsorption energies of the intermediates of the oxygen reduction and evolution reactions on transition metals and their oxides are smoothly captured by the number of outer electrons. This unique descriptor permits the construction of predictive adsorption-energy grids and explains the existence of scaling relationships among these compounds.

引用

页码：1245 / 1249

页数：5

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