First-principles study of doped single wall carbon nanotubes
文献类型：期刊论文
| 作者 | Mao, YL; Yan, XH; Xiao, Y; Cao, JX; Xiang, J |
| 刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS C
 |
| 出版日期 | 2005-09-01 |
| 卷号 | 16页码:1363-1369 |
| 关键词 | carbon nanotube impurity electronic structure |
| ISSN号 | 0129-1831 |
| 英文摘要 | We investigate boron and nitrogen substitutional doping single wall carbon nanotubes (SWCNTs) by first-principles calculations. The optimized geometres of boron and nitrogen substituted SWCNTs exhibit bamboo-like structures. Boron and nitrogen impurities form acceptor and donor states in semiconductor SWCNTs. The highest occupied molecular orbital (HOMO) indicates the trend of forming inter-tube bonds in doping SWCNTs. It may start a new way to form inter-tube bonds by doping in SWCNTs. |
| WOS关键词 | ELECTRONIC-PROPERTIES ; SUBSTITUTION-REACTION ; MOLECULAR-DYNAMICS |
| WOS研究方向 | Computer Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000232638300003 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://119.78.100.186/handle/113462/25356]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Mao, YL |
| 作者单位 | 1.Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China 2.Xiangtan Univ, Inst Modern Phys, Xiangtan 411105, Peoples R China 3.Xiangtan Univ, Key Lab Adv Mat & Rhel Properties, Minist Educ, Xiangtan 411105, Peoples R China 4.Nanjing Univ Aeronaut & Astronaut, Coll Sci, Nanjing 210016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Mao, YL,Yan, XH,Xiao, Y,et al. First-principles study of doped single wall carbon nanotubes[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS C,2005,16:1363-1369. |
| APA | Mao, YL,Yan, XH,Xiao, Y,Cao, JX,&Xiang, J.(2005).First-principles study of doped single wall carbon nanotubes.INTERNATIONAL JOURNAL OF MODERN PHYSICS C,16,1363-1369. |
| MLA | Mao, YL,et al."First-principles study of doped single wall carbon nanotubes".INTERNATIONAL JOURNAL OF MODERN PHYSICS C 16(2005):1363-1369. |
入库方式： OAI收割
来源：近代物理研究所
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