Adsorption of Li on Cu(110): Density-functional calculations

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	Adsorption of Li on Cu(110): Density-functional calculations
	Y. G. Zhou; X. T. Zu; J. L. Nie; H. Y. Xiao
	2009
发表期刊	Chemical Physics
ISSN	0301-0104
卷号	355 期号:2-3 页码:135-140
摘要	The adsorption of Li on Cu(110) Surface has been studied using gradient-corrected density-functional Calculations. Our calculations show that the hollow site is found to be the most stable on-surface site. The surface alloy is formed when Li atom substitutes Cu atom in the outermost layer, in excellent agreement with experiments. Work function analysis shows that when Li is adsorbed on Cu(110) surface. the work function decreases with increasing coverage, up to a minimum, and finally increase again because of the depolarization. From the Surface diffusion analysis, we find that the diffusion of Li atoms on Cu(110) displays a distinct anisotropy and the low-energy Surface diffusion channel for Li atom is along the furrow direction. (C) 2008 Elsevier B.V. All Fights reserved.
部门归属	[zhou, y. g.; zu, x. t.; nie, j. l.; xiao, h. y.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [zu, x. t.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;xiaotaozu@yahoo.com
关键词	Density-functional Theory Cu Li Work Function Surface Reconstruction Pseudopotentials Mo(110) Lithium
URL	查看原文
WOS记录号	WOS:000263628800007
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32626
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. G. Zhou,X. T. Zu,J. L. Nie,et al. Adsorption of Li on Cu(110): Density-functional calculations[J]. Chemical Physics,2009,355(2-3):135-140.
APA	Y. G. Zhou,X. T. Zu,J. L. Nie,&H. Y. Xiao.(2009).Adsorption of Li on Cu(110): Density-functional calculations.Chemical Physics,355(2-3),135-140.
MLA	Y. G. Zhou,et al."Adsorption of Li on Cu(110): Density-functional calculations".Chemical Physics 355.2-3(2009):135-140.