Dealloying of platinum-based alloy catalysts: Kinetic Monte Carlo simulations

被引：36

作者：

Callejas-Tovar, Rafael ^{[1
]}

Diaz, C. Alex ^{[1
]}

de la Hoz, Julibeth M. Martinez ^{[1
,2
]}

Balbuena, Perla B. ^{[1
,2
]}

机构：

[1] Texas A&M Univ, Artie McFerrin Dept Chem Engn, College Stn, TX 77843 USA

[2] Texas A&M Univ, Mat Sci & Engn Program, College Stn, TX 77843 USA

来源：

ELECTROCHIMICA ACTA | 2013年 / 101卷

关键词：

Kinetic Monte Carlo; Dealloying; Nanoparticles; Oxygen reduction reaction; Porous structures; OXYGEN REDUCTION REACTION; PT3CO NANOPARTICLES; SURFACE-DIFFUSION; HOLLOW; ELECTROCATALYSTS; ARCHITECTURE; PERFORMANCE; DISSOLUTION; LAYER; ZINC;

D O I：

10.1016/j.electacta.2013.01.053

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

Kinetic Monte Carlo simulations are performed to study the dealloying of Pt-based nanoparticles typically used as oxygen reduction reaction catalysts. The Kirkendall effect is represented to emulate the synthesis of hollow nanoparticles by removing the Ni core in a Ni-core/Pt-shell nanoparticle. It is found that initial shell vacancies are required to completely dissolve the non-noble core. The evolution of porosity is followed by dealloying Ni0.75Pt0.25 and Co0.63Pt0.37 nanoparticles. Two critical potentials define regions where the bimetallic particles may exist as core-shell, porous, and hollow structures, accompanied with clear variations in the dissolution rates. The phenomena are characterized by the dynamic evolution of the surface coordination numbers, and that of the surface area per platinum mass. (C) 2013 Elsevier Ltd. All rights reserved.

引用

页码：326 / 333

页数：8

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