Surface Segregation and Structural Features of Bimetallic Au−Pt Nanoparticles
作者： Lei Deng , Wangyu Hu , Huiqiu Deng , Shifang Xiao
DOI: 10.1021/JP100194P
关键词:
摘要: Monte Carlo simulations were carried out to systematically investigate the effects of composition, size, and temperature on surface segregation structural features Au−Pt nanoparticles in present paper. A strong Au enrichment was observed all nanoparticles, promoted by increasing particle sizes. It is found that core−shell structure preferred equilibrium with low three-shell onion-like formed at high composition. The competitive multisite predicted which atoms favor sites vertices, edges, facets. reverse dependency for different has also been discussed.
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