First-principles study of the effects of Si doping on geometric and electronic structure of closed carbon nanotube
文献类型：期刊论文
| 作者 | J. Z. Zhou ; C. Y. Wang |
| 刊名 | Chinese Science Bulletin
 |
| 出版日期 | 2005 |
| 卷号 | 50期号:17页码:1823-1828 |
| 关键词 | carbon nanotube doping electronic structure field emission field-emission polyatomic-molecules density array tips |
| ISSN号 | 1001-6538 |
| 中文摘要 | The effects of Si doping on geometric and electronic structure of closed carbon nanotube (CNT) are studied by, a first-principles method, DMol. It is found that the local density of states at the Fermi level (E-F) increases due to the Si-doping and the non-occupied states above the E-F go down toward the lower energy range under an external electronic field. In addition, due to the doping of Si, a sub-tip on the CNT cap is formed, which consisted of the Si atom and its neighbor C atoms. From these results it is concluded that Si-doping is beneficial to the CNT field emission properties. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35292]  |
| 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 | J. Z. Zhou,C. Y. Wang. First-principles study of the effects of Si doping on geometric and electronic structure of closed carbon nanotube[J]. Chinese Science Bulletin,2005,50(17):1823-1828. |
| APA | J. Z. Zhou,&C. Y. Wang.(2005).First-principles study of the effects of Si doping on geometric and electronic structure of closed carbon nanotube.Chinese Science Bulletin,50(17),1823-1828. |
| MLA | J. Z. Zhou,et al."First-principles study of the effects of Si doping on geometric and electronic structure of closed carbon nanotube".Chinese Science Bulletin 50.17(2005):1823-1828. |
入库方式： OAI收割
来源：金属研究所
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