Orbital interaction of epoxidation on the same curvature bonds of single-walled carbon nanotubes
文献类型：期刊论文
| 作者 | G. X. Jia ; L. G. Chen ; J. Q. Li ; Y. Li ; Y. Chen |
| 刊名 | Chinese Journal of Structural Chemistry
 |
| 出版日期 | 2007 |
| 卷号 | 26期号:11页码:1308-1314 |
| ISSN号 | 0254-5861 |
| 关键词 | carbon nanotube epoxidation bond curvature orbital interaction short armchair nanotubes sidewall functionalization theoretical simulation electronic-structures finite-length chemistry |
| 中文摘要 | The epoxidation of different bonds with the same bond curvature in one nanotube including armchair, zigzag and chiral tubes was studied. The calculated results showed that for the adducts with opened C-O-C configuration, the magnitude of the binding energies was related with their corresponding bonding characteristics in HOMO, and the larger binding energies were attributed to stronger orbital interaction between one O atom and the nanotube; whereas for the adducts with 3MR structures, the binding energies were related with the changes of C-C bond length and independent of the frontier orbital interaction before and after epoxidation. |
| 语种 | 英语 |
| 公开日期 | 2013-04-01 |
| 源URL | [http://ir.fjirsm.ac.cn/handle/350002/6349]  |
| 专题 | 福建物质结构研究所_中科院福建物质结构研究所_期刊论文 |
| 推荐引用方式 GB/T 7714 | G. X. Jia,L. G. Chen,J. Q. Li,et al. Orbital interaction of epoxidation on the same curvature bonds of single-walled carbon nanotubes[J]. Chinese Journal of Structural Chemistry,2007,26(11):1308-1314. |
| APA | G. X. Jia,L. G. Chen,J. Q. Li,Y. Li,&Y. Chen.(2007).Orbital interaction of epoxidation on the same curvature bonds of single-walled carbon nanotubes.Chinese Journal of Structural Chemistry,26(11),1308-1314. |
| MLA | G. X. Jia,et al."Orbital interaction of epoxidation on the same curvature bonds of single-walled carbon nanotubes".Chinese Journal of Structural Chemistry 26.11(2007):1308-1314. |
入库方式： OAI收割
来源：福建物质结构研究所
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