Adsorption of Li on Cu(110): Density-functional calculations
文献类型：期刊论文
| 作者 | Y. G. Zhou ; X. T. Zu ; J. L. Nie ; H. Y. Xiao |
| 刊名 | Chemical Physics
 |
| 出版日期 | 2009 |
| 卷号 | 355期号:2-3页码:135-140 |
| 关键词 | Density-functional theory Cu Li Work function surface reconstruction pseudopotentials mo(110) lithium |
| ISSN号 | 0301-0104 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32626]  |
| 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 | 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. |
入库方式： OAI收割
来源：金属研究所
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