FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110)
文献类型：期刊论文
| 作者 | Y. G. Zhou ; X. T. Zu ; J. L. Nie ; H. Y. Xiao |
| 刊名 | Surface Review and Letters
 |
| 出版日期 | 2008 |
| 卷号 | 15期号:5页码:661-668 |
| 关键词 | Density functional theory Mo layer-by-layer surface diffusion by-layer growth structural-properties surface metals films sb mo pseudopotentials cu(111) crystal |
| ISSN号 | 0218-625X |
| 中文摘要 | The adsorption of Ni atom on the Mo(110) surface has been studied within the density functional theory framework. It turned out that Ni-Mo surface alloy was formed with Ni atoms substituting Mo atom in the outermost layer. The subsurface site adsorption was found to be not preferred. Geometric analysis showed that the rumpling between substitutional Ni and Mo in the first alloy layer was about 0.108 angstrom at medium and low coverage (Theta). In addition, the diffusion of Ni on bare and Ni-substitutional Mo(110) surface has been investigated. It was shown that the diffusion energy barrier was reduced as the increase of coverage on bare Mo(110) surface, which supports the switch of growth mode layer-by-layer to Stranski-Krastanov as the function of coverage. Substitutional Ni atom only slightly increases the energy barrier for Ni diffusion on Mo(110) surface. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33400]  |
| 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. FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110)[J]. Surface Review and Letters,2008,15(5):661-668. |
| APA | Y. G. Zhou,X. T. Zu,J. L. Nie,&H. Y. Xiao.(2008).FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110).Surface Review and Letters,15(5),661-668. |
| MLA | Y. G. Zhou,et al."FIRST-PRINCIPLES STUDY OF Ni ADSORPTION ON Mo(110)".Surface Review and Letters 15.5(2008):661-668. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。