Energetics of high temperature dimer desorption and reconstruction at the end of small zigzag carbon nanotubes
文献类型：期刊论文
| 作者 | Che, R ; Peng, LM ; Zhang, S ; Sun, Z |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2003 |
| 卷号 | 368期号:1-2页码:20 |
| 关键词 | ELECTRONIC-STRUCTURE GROWTH MODEL |
| ISSN号 | 0009-2614 |
| 通讯作者 | Peng, LM: Chinese Acad Sci, Beijing Lab Electron Microscopy, Inst Phys, POB 603, Beijing 100080, Peoples R China. |
| 中文摘要 | The energetics of small zigzag carbon nanotubes at high temperature regime (T = 2500 K) is investigated via k-space tight-binding molecular dynamics (TBMD) simulations. It is found that the n dangling atoms at the end of a zigzag tube with 5 < n < 12 can automatically transform into an (n - 1)-member ring at the top, accompanied by the release of a C, dimer and the formation of (n - 1) pentagons and a hexagon-pentagon pair involving up to five layers of atoms. For tubes larger than (11, 0) or smaller than (6, 0), it is found that energetically it is more favorable for the tube to remain open. (C) 2002 Elsevier Science B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37300]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Che, R,Peng, LM,Zhang, S,et al. Energetics of high temperature dimer desorption and reconstruction at the end of small zigzag carbon nanotubes[J]. CHEMICAL PHYSICS LETTERS,2003,368(1-2):20. |
| APA | Che, R,Peng, LM,Zhang, S,&Sun, Z.(2003).Energetics of high temperature dimer desorption and reconstruction at the end of small zigzag carbon nanotubes.CHEMICAL PHYSICS LETTERS,368(1-2),20. |
| MLA | Che, R,et al."Energetics of high temperature dimer desorption and reconstruction at the end of small zigzag carbon nanotubes".CHEMICAL PHYSICS LETTERS 368.1-2(2003):20. |
入库方式： OAI收割
来源：物理研究所
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