Ab initio study of fullerene-like structures of Si-60
文献类型：期刊论文
| 作者 | Gan Li-Hua; Shu Chun-Ying; Wang Chun-Ru |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2006-06-01 |
| 卷号 | 27期号:6页码:1106-1108 |
| 关键词 | Si-60 Cluster Fullerene-like Structure Ab Initio Calculations |
| ISSN号 | 0251-0790 |
| 英文摘要 | Ab initio calculations were performed on Si-60 (I-h) and its several lower symmetrical structures. Five stable structures of spherical Si-60 with T, C-i, C-l, C-s and C-2 symmetries were found by following the imaginary frequency vibrations of Si-60 (I-h) Si-60 (D-3d) and Si-60 (T-h). The calculated results demonstrate that some silicon atoms pop out and some shrink inward in the five favored structures of Si-60, leading to form sp(3) hybridization of silicon. These results. will provide insight into the formation and stability of nanoscale silicon clusters. |
| 语种 | 英语 |
| WOS记录号 | WOS:000238377500028 |
| 出版者 | HIGHER EDUCATION PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/59113]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang Chun-Ru |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gan Li-Hua,Shu Chun-Ying,Wang Chun-Ru. Ab initio study of fullerene-like structures of Si-60[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2006,27(6):1106-1108. |
| APA | Gan Li-Hua,Shu Chun-Ying,&Wang Chun-Ru.(2006).Ab initio study of fullerene-like structures of Si-60.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,27(6),1106-1108. |
| MLA | Gan Li-Hua,et al."Ab initio study of fullerene-like structures of Si-60".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 27.6(2006):1106-1108. |
入库方式： OAI收割
来源：化学研究所
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