Surface Segregation and Structural Features of Bimetallic Au−Pt Nanoparticles

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• 作者：Lei Deng ; Wangyu Hu ; Huiqiu Deng ; Shifang Xiao
• 刊名：Journal of Physical Chemistry C
• 出版年：2010
• 出版时间：July 1, 2010
• 年：2010
• 卷：114
• 期：25
• 页码：11026-11032
• 全文大小：344K
• 年卷期：v.114,no.25(July 1, 2010)
• ISSN：1932-7455

文摘

Monte Carlo simulations were carried out to systematically investigate the effects of composition, size, and temperature on the surface segregation and structural features of Au−Pt nanoparticles in the present paper. A strong surface Au enrichment was observed in all of the nanoparticles, and the surface segregation of Au was promoted by increasing the particle sizes. It is found that the core−shell structure was preferred in the equilibrium Au−Pt nanoparticles with low Au composition, and three-shell onion-like structure was formed at high Au composition. The competitive multisite segregation was predicted in the core−shell nanoparticles in which Au atoms favor sites at the vertices, edges, and facets. The reverse temperature dependency of segregation for different surface sites has also been discussed.