Ligand effects in heterogeneous catalysis and electrochemistry

被引：557

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

共 56 条

[1] Calculation of the Tafel plot for H2 oxidation on Pt(100) from potential-dependent activation energies [J].

Anderson, AB ;

Cai, Y .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (52) :19917-19920

[2] Spatially resolved chemistry on bimetallic surfaces [J].

Behm, RJ .

ACTA PHYSICA POLONICA A, 1998, 93 (02) :259-272

[3] The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis [J].

Bligaard, T ;

Norskov, JK ;

Dahl, S ;

Matthiesen, J ;

Christensen, CH ;

Sehested, J .

JOURNAL OF CATALYSIS, 2004, 224 (01) :206-217

[4] The reversible hydrogen electrode: Potential-dependent activation energies over platinum from quantum theory [J].

Cai, Y ;

Anderson, AB .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (28) :9829-9833

[5] The electrooxidation of carbon monoxide on ruthenium modified Pt(110) [J].

Davies, JC ;

Hayden, BE ;

Pegg, DJ .

ELECTROCHIMICA ACTA, 1998, 44 (6-7) :1181-1190

[6] Elucidation of the electrochemical activation of water over Pd by first principles [J].

Filhol, JS ;

Neurock, M .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (03) :402-406

[7] Understanding the high activity of a nanostructured catalyst obtained by a deposit of Pd on Ni: First principle calculations [J].

Filhol, JS ;

Simon, D ;

Sautet, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (10) :3228-3233

[8] Alloy catalysts designed from first principles [J].

Greeley, J ;

Mavrikakis, M .

NATURE MATERIALS, 2004, 3 (11) :810-815

[9] Competitive paths for methanol decomposition on Pt(111) [J].

Greeley, J ;

Mavrikakis, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (12) :3910-3919

[10] Computational high-throughput screening of electrocatalytic materials for hydrogen evolution [J].

Greeley, Jeff ;

Jaramillo, Thomas F. ;

Bonde, Jacob ;

Chorkendorff, I. B. ;

Norskov, Jens K. .

NATURE MATERIALS, 2006, 5 (11) :909-913

← 1 2 3 4 5 6 →