A DFT study of PtAu bimetallic clusters adsorbed on MgO/Ag(100) ultrathin films

被引：12

作者：

Sicolo, Sabrina ^{[1
]}

Pacchioni, Gianfranco ^{[1
]}

机构：

[1] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2010年 / 12卷 / 24期

关键词：

THIN-FILMS; ADSORPTION; GOLD; CO;

D O I：

10.1039/c000841a

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 have performed density functional theory calculations on the properties of small PtAun (n = 1-4) bimetallic clusters adsorbed on ultrathin MgO films deposited over the Ag(100) substrate. The PtAu bimetallic clusters show the occurrence of a charge transfer from the QJ;MgO/Ag interface to the supported nanoparticle with the formation of cluster anions. The Pt atom, which exhibits a stronger bonding with the oxide film and a higher diffusion barrier compared to Au, acts as a nucleation site for the bimetallic cluster and limits its diffusion on the surface.

引用

页码：6352 / 6356

页数：5

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