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

共 38 条

[1] Facile preparation of carbon-supported PtNi hollow nanoparticles with high electrochemical performance [J].

Bae, Sung Jong ;

Yoo, Sung Jong ;

Lim, Yuntaek ;

Kim, Sojeong ;

Lim, Yirang ;

Choi, Junghun ;

Nahm, Kee Suk ;

Hwang, Seung Jun ;

Lim, Tae-Hoon ;

Kim, Soo-Kil ;

Kim, Pil .

JOURNAL OF MATERIALS CHEMISTRY, 2012, 22 (18) :8820-8825

[2] Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects [J].

Baletto, F ;

Ferrando, R .

REVIEWS OF MODERN PHYSICS, 2005, 77 (01) :371-423

[3] Effect of Subsurface Vacancies on Oxygen Reduction Reaction Activity of Pt-Based Alloys [J].

Callejas-Tovar, Rafael ;

Balbuena, Perla B. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (27) :14414-14422

[4] Enhanced activity for oxygen reduction reaction on "Pt3CO" nanoparticles:: Direct evidence of percolated and sandwich-segregation structures [J].

Chen, Shuo ;

Ferreira, Paulo J. ;

Sheng, Wenchao ;

Yabuuchi, Naoaki ;

Allard, Lawrence F. ;

Shao-Horn, Yang .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (42) :13818-13819

[5] Origin of Oxygen Reduction Reaction Activity on "Pt3Co" Nanoparticles: Atomically Resolved Chemical Compositions and Structures [J].

Chen, Shuo ;

Sheng, Wenchao ;

Yabuuchi, Naoaki ;

Ferreira, Paulo J. ;

Allard, Lawrence F. ;

Shao-Horn, Yang .

JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (03) :1109-1125

[6] Changing shapes in the nanoworld [J].

Combe, N ;

Jensen, P ;

Pimpinelli, A .

PHYSICAL REVIEW LETTERS, 2000, 85 (01) :110-113

[7] Further insights into the durability of Pt3Co/C electrocatalysts: Formation of "hollow" Pt nanoparticles induced by the Kirkendall effect [J].

Dubau, L. ;

Durst, J. ;

Maillard, F. ;

Guetaz, L. ;

Chatenet, M. ;

Andre, J. ;

Rossinot, E. .

ELECTROCHIMICA ACTA, 2011, 56 (28) :10658-10667

[8] Electrochemical and Structural Study of a Chemically Dealloyed PtCu Oxygen Reduction Catalyst [J].

Dutta, Indrajit ;

Carpenter, Michael K. ;

Balogh, Michael P. ;

Ziegelbauer, Joseph M. ;

Moylan, Thomas E. ;

Atwan, Mohammed H. ;

Irish, Nicholas P. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (39) :16309-16320

[9]

Erlebacher J., 2011, PHYS REV LETT, P106

[10] EXACT STOCHASTIC SIMULATION OF COUPLED CHEMICAL-REACTIONS [J].

GILLESPIE, DT .

JOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (25) :2340-2361

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