Sb adsorption on Cu(110), (100), and (111) surfaces

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	Sb adsorption on Cu(110), (100), and (111) surfaces
	H. Y. Xiao ; X. T. Zu ; X. He ; F. Gao
刊名	Chemical Physics
	2006
卷号	325 期号:2 页码:519-524
关键词	density-functional calculations antimony copper surface alloy low-energy-electron generalized gradient approximation local-density approximation ion-scattering spectroscopy structural-analysis molecular-dynamics atomic-structure diffraction relaxation ag(111)
ISSN号	0301-0104
中文摘要	The adsorption of antimony on the (I 10), (10 0) and (I 11) surfaces of Cu has been studied using gradient-corrected density-functional calculations. Our calculations showed that all the surfaces are active for Sb adsorption and surface alloys are formed in which Sb atoms substitute Cu atom in the outermost layer, in excellent agreement with experiments. The vacancy formation energy for (I 10) surface is found to be the smallest and the Sb/Cu(110)c(2 x 2) surface alloy turns out to be energetically the most favorable. Our results are found to agree well with the available experimental and theoretical work. (c) 2006 Elsevier B.V. All rights reserved.
原文出处	://WOS:000238726900036
公开日期	2012-04-14
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/34596]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Xiao,X. T. Zu,X. He,et al. Sb adsorption on Cu(110), (100), and (111) surfaces[J]. Chemical Physics,2006,325(2):519-524.
APA	H. Y. Xiao,X. T. Zu,X. He,&F. Gao.(2006).Sb adsorption on Cu(110), (100), and (111) surfaces.Chemical Physics,325(2),519-524.
MLA	H. Y. Xiao,et al."Sb adsorption on Cu(110), (100), and (111) surfaces".Chemical Physics 325.2(2006):519-524.