Changing the activity of electrocatalysts for oxygen reduction by tuning the surface electronic structure

被引：1815

作者：

Stamenkovic, Vojislav

Mun, Bongjin Simon

Mayrhofer, Karl J. J.

Ross, Philip N.

Markovic, Nenad M.

Rossmeisl, Jan

Greeley, Jeff

Norskov, Jens K. ^{[1
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA

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

[3] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 18期

关键词：

alloys; density functional calculations; electrochemistry; oxygen; platinum;

D O I：

10.1002/anie.200504386

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Graph Presented) Going platinum: The theoretical description of electrocatalytic phenomena is extremely challenging. A simple, density functional theory based model has been developed that is able to give a semi-quantitative description of the reaction kinetics for the electrocatalytic oxygen reduction on several platinum binary alloys, Pt3M (see graph). © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：2897 / 2901

页数：5

共 35 条

[1] Density functional theory studies of sulfur binding on Pd, Cu and Ag and their alloys
Alfonso, DR
Cugini, AV
Sholl, DS
[J]. SURFACE SCIENCE, 2003, 546 (01) : 12 - 26
[2] APPLEBY AJ, 1970, CATALY REV, V4, P221
[3] STUDY OF THE RECONSTRUCTED (001) SURFACE OF THE PT80CO20 ALLOY
BARDI, U
ATREI, A
ZANAZZI, E
ROVIDA, G
ROSS, PN
[J]. VACUUM, 1990, 41 (1-3) : 437 - 440
[4] Dipole correction for surface supercell calculations
Bengtsson, L
[J]. PHYSICAL REVIEW B, 1999, 59 (19): : 12301 - 12304
[5] The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis
Bligaard, T
Norskov, JK
Dahl, S
Matthiesen, J
Christensen, CH
Sehested, J
[J]. JOURNAL OF CATALYSIS, 2004, 224 (01) : 206 - 217
[6] CO adsorption on close-packed transition and noble metal surfaces:: trends from ab initio calculations
Gajdos, M
Eichler, A
Hafner, J
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (08) : 1141 - 1164
[7] PT-metal alloy surfaces: Systematic trends
Gauthier, Y
[J]. SURFACE REVIEW AND LETTERS, 1996, 3 (5-6) : 1663 - 1689
[8] SURFACE-SANDWICH SEGREGATION ON NONDILUTE BIMETALLIC ALLOYS - PT50NI50 AND PT78NI22 PROBED BY LOW-ENERGY ELECTRON-DIFFRACTION
GAUTHIER, Y
JOLY, Y
BAUDOING, R
RUNDGREN, J
[J]. PHYSICAL REVIEW B, 1985, 31 (10): : 6216 - 6218
[9] INFLUENCE OF THE TRANSITION-METAL AND OF ORDER ON THE COMPOSITION PROFILE OF PT80M20(111) (M = NI, CO FE) ALLOY SURFACES - LEED STUDY OF PT80CO20(111)
GAUTHIER, Y
BAUDOINGSAVOIS, R
BUGNARD, JM
BARDI, U
ATREI, A
[J]. SURFACE SCIENCE, 1992, 276 (1-3) : 1 - 11
[10] Electronic structure and catalysis on metal surfaces
Greeley, J
Norskov, JK
Mavrikakis, M
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2002, 53 : 319 - 348

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