Theoretical explorations on the armchair BN nanotube with defects
文献类型：期刊论文
| 作者 | Li, Xi Mao1; Tian, Wei Quan1; Huang, Xu Ri1; Sun, Chia Chung1; Jiang, Lei2 |
| 刊名 | JOURNAL OF NANOPARTICLE RESEARCH
 |
| 出版日期 | 2009-02-01 |
| 卷号 | 11期号:2页码:395-403 |
| 关键词 | Bn Nanotube Defect Reactivity Field Emission Theory Simulation Numerical Methods |
| ISSN号 | 1388-0764 |
| DOI | 10.1007/s11051-008-9388-x |
| 英文摘要 | A systematic study of armchair boron nitride nanotubes (BNNTs) with defects has been carried out within density functional theory. The effect brought by the defects is localized. The defect sites have major contribution to the frontier molecular orbital and change the conductivity of the BNNTs. The defect sites are reactive centers. The substitution of boron with carbon enhances the field emission of the tubes. Doping or vacancy defect creates active center on nanotubes, thus broadening the applications of nanotubes in chemistry and material sciences through functionalization. |
| 语种 | 英语 |
| WOS记录号 | WOS:000262987800014 |
| 出版者 | SPRINGER |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/68627]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Tian, Wei Quan |
| 作者单位 | 1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China 2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Xi Mao,Tian, Wei Quan,Huang, Xu Ri,et al. Theoretical explorations on the armchair BN nanotube with defects[J]. JOURNAL OF NANOPARTICLE RESEARCH,2009,11(2):395-403. |
| APA | Li, Xi Mao,Tian, Wei Quan,Huang, Xu Ri,Sun, Chia Chung,&Jiang, Lei.(2009).Theoretical explorations on the armchair BN nanotube with defects.JOURNAL OF NANOPARTICLE RESEARCH,11(2),395-403. |
| MLA | Li, Xi Mao,et al."Theoretical explorations on the armchair BN nanotube with defects".JOURNAL OF NANOPARTICLE RESEARCH 11.2(2009):395-403. |
入库方式： OAI收割
来源：化学研究所
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