Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt

被引：229

作者：

Tritsaris, G. A. ^{[1
,2
]}

Greeley, J. ^{[3
]}

Rossmeisl, J. ^{[1
]}

Norskov, J. K. ^{[2
,4
]}

机构：

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

[2] SLAC Natl Accelerator Lab, Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA

[3] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA

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

来源：

CATALYSIS LETTERS | 2011年 / 141卷 / 07期

关键词：

Electrocatalysis; Nanoparticles; DFT; Particle size effect; Oxygen electroreduction; Platinum; ACTIVE-SITES; CATALYSTS; SURFACES; TRENDS;

D O I：

10.1007/s10562-011-0637-8

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：

We estimate the activity of the oxygen reduction reaction on platinum nanoparticles of sizes of practical importance. The proposed model explicitly accounts for surface irregularities and their effect on the activity of neighboring sites. The model reproduces the experimentally observed trends in both the specific and mass activities for particle sizes in the range between 2 and 30 nm. The mass activity is calculated to be maximized for particles of a diameter between 2 and 4 nm. Our study demonstrates how an atomic-scale description of the surface microstructure is a key component in understanding particle size effects on the activity of catalytic nanoparticles.

引用

页码：909 / 913

页数：5

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