| Pbn(n=2～30)团簇结构及铅晶体表面过程的计算机模拟 |
| Computer Simulation of the Geometries of Pbn(n = 2～30) Microcluster and Surface Behaviour of fcc Lead |
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| 摘要: |
| 关键词: 势能函数 Pbn结构 表面模拟 |
| 基金项目: 山西省自然科学基金资助项目(No.971017);回国人员基金资助项目. |
| Abstract: Structures and relative stabilities of lead clusters Pbn(n = 2～30) have been simulated based upon a 2 + 3 body potential energy function optimized from fcc lead.Pbn follow the growth pattern Of close packed distorted-tetrahedron structures, typical of metal cluster geometry sequence.The surface nergies of (111), (100) and (110) surfaces and corresponding surface contractions have also been alculated with the same potential. |
| Keywords: potential energy function pbn clusters surface simulation |
| 投稿时间：2000-01-18 修订日期：2000-06-12 |
| 摘要点击次数: 1064 |
| 全文下载次数: 1528 |
| 李思殿,金志浩.Pbn(n=2～30)团簇结构及铅晶体表面过程的计算机模拟[J].无机化学学报,2000,16(5):811-814. |
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