Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

被引：3678

作者：

Man, Isabela C. ^{[1
]}

Su, Hai-Yan ^{[1
]}

Calle-Vallejo, Federico ^{[1
]}

Hansen, Heine A. ^{[2
]}

Martinez, Jose I. ^{[3
]}

Inoglu, Nilay G. ^{[4
]}

Kitchin, John ^{[4
]}

Jaramillo, Thomas F. ^{[5
]}

Norskov, Jens K. ^{[5
,6
]}

Rossmeisl, Jan ^{[1
]}

机构：

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

[2] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA

[3] Univ Autonoma Madrid, Dpto Fis Teor Mat Condensada, E-28049 Madrid, Spain

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

[5] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA

[6] SLAC Natl Accelerator Lab, Stanford, CA 94025 USA

来源：

CHEMCATCHEM | 2011年 / 3卷 / 07期

基金：

美国国家科学基金会;

关键词：

density functional calculations; electrochemistry; electron transfer; heterogeneous catalysis; oxygen; WATER OXIDATION; METAL-OXIDES; ELECTROLYSIS; REDUCTION; EXCHANGE; CLUSTERS; HYDROGEN;

D O I：

10.1002/cctc.201000397

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Trends in electrocatalytic activity of the oxygen evolution reaction (OER) are investigated on the basis of a large database of HO* and HOO* adsorption energies on oxide surfaces. The theoretical overpotential was calculated by applying standard density functional theory in combination with the computational standard hydrogen electrode (SHE) model. We showed that by the discovery of a universal scaling relation between the adsorption energies of HOO* vs HO*, it is possible to analyze the reaction free energy diagrams of all the oxides in a general way. This gave rise to an activity volcano that was the same for a wide variety of oxide catalyst materials and a universal descriptor for the oxygen evolution activity, which suggests a fundamental limitation on the maximum oxygen evolution activity of planar oxide catalysts.

引用

页码：1159 / 1165

页数：7

共 49 条

[1] Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces
Abild-Pedersen, F.
Greeley, J.
Studt, F.
Rossmeisl, J.
Munter, T. R.
Moses, P. G.
Skulason, E.
Bligaard, T.
Norskov, J. K.
[J]. PHYSICAL REVIEW LETTERS, 2007, 99 (01)
[2] BAND THEORY AND MOTT INSULATORS - HUBBARD-U INSTEAD OF STONER-I
ANISIMOV, VI
ZAANEN, J
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1991, 44 (03): : 943 - 954
[3] THE ELECTROCATALYSIS OF OXYGEN EVOLUTION ON PEROVSKITES
BOCKRIS, JO
OTAGAWA, T
[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1984, 131 (02) : 290 - 302
[4] Hydrogen no longer a high cost solution to global warming: New ideas
Bockris, John O'M.
[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2008, 33 (09) : 2129 - 2131
[5] Estimates of the price of hydrogen as a medium for wind and solar sources
Bockris, John O'M.
Veziroglu, T. Nejat
[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2007, 32 (12) : 1605 - 1610
[6] BORESKOV GK, 1964, ADV CATAL, V15, P285
[7] Calle-Vallejo F., 2010, ANGEW CHEM, V122, P7865
[8] Trends in Stability of Perovskite Oxides
Calle-Vallejo, Federico
Martinez, Jose I.
Garcia-Lastra, Juan M.
Mogensen, Mogens
Rossmeisl, Jan
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (42) : 7699 - 7701
[9] The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis
Dau, Holger
Limberg, Christian
Reier, Tobias
Risch, Marcel
Roggan, Stefan
Strasser, Peter
[J]. CHEMCATCHEM, 2010, 2 (07) : 724 - 761
[10] Size-Dependent Activity of Co3O4 Nanoparticle Anodes for Alkaline Water Electrolysis
Esswein, Arthur J.
McMurdo, Meredith J.
Ross, Phillip N.
Bell, Alexis T.
Tilley, T. Don
[J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (33) : 15068 - 15072

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