Scaling relationships for adsorption energies on transition metal oxide, sulfide, and nitride surfaces

被引：299

作者：

Fernandez, Eva M. ^{[1
]}

Moses, Poul G. ^{[1
]}

Toftelund, Anja ^{[1
]}

Hansen, Heine A. ^{[1
]}

Martinez, Jose I. ^{[1
]}

Abild-Pedersen, Frank ^{[1
]}

Kleis, Jesper ^{[1
]}

Hinnemann, Berit ^{[2
]}

Rossmeisl, Jan ^{[1
]}

Bligaard, Thomas ^{[1
]}

Norskov, Jens K. ^{[1
]}

机构：

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

[2] Haldor Topsoe Res Labs, DK-2800 Lyngby, Denmark

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 25期

关键词：

adsorption; density functional calculations; surface chemistry; transition metals;

D O I：

10.1002/anie.200705739

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Getting on top of things: DFT calculations have been used to study the adsorption energies of O, OH, S, SH, N, NH, and NH2 on transition metal oxide, sulfide, and nitride surfaces. A scaling relationship was found between the adsorption energies of the intermediates and the adsorption energies of the atoms which is independent of the metal and depends only on the number of H atoms in the molecule (see graph). (Graph Presented). © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：4683 / 4686

页数：4

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