First Principles Study on the Diffusion of Alkali-Metal Ions on the Armchair Single-Wall Nanotubes
文献类型：期刊论文
| 作者 | Li J(李炯); Li HM(李海铭); LIANG, XIANQING; Zhang S(张硕) ; Zhao T(赵挺); Wu ZY(吴自玉); Li, J; Li, HM; Liang, XQ; Zhang, SO
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
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| 出版日期 | 2009 |
| 卷号 | 113期号:5页码:791-796 |
| 通讯作者 | [Li, Jiong ; Li, Haiming ; Liang, Xianqing ; Zhang, Shuo ; Zhao, Ting ; Wu, Ziyu] Chinese Acad Sci, Beijing Synchrotron Radiat Facil, Inst High Energy Phys, Beijing 100049, Peoples R China ; [Liang, Xianqing ; Zhang, Shuo ; Wu, Ziyu] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230026, Peoples R China ; [Wu, Ziyu] Chinese Acad Sci, Ctr Theoret Phys, Sci Facil, Beijing 100049, Peoples R China ; [Xia, Dingguo] Beijing Univ Technol, Coll Energy & Environm Engn, Beijing 100022, Peoples R China |
| 英文摘要 | In this paper we have performed density-functional study on the adsorption and diffusion of various alkali-metal ions on the surface of pristine and defective armchair single-wall carbon nanotubes. In the pristine SWNT system, the position above the hexagon is believed to be the most stable site for adsorption, while the adsorption is enhanced in the defective SWNT. In pristine SWNT all the ions prefer to diffuse along the axial direction, with low barriers less than 0.25 eV. In defective SWNT, the axial diffusion is also energetically most preferable, and the barriers increase only slightly and have little influence on the diffusion as compared to pristine SWNT. |
| 学科主题 | Chemistry; Physics |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000262902500001 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/238497]  |
| 专题 | 高能物理研究所_多学科研究中心 高能物理研究所_粒子天体物理中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Li J,Li HM,LIANG, XIANQING,et al. First Principles Study on the Diffusion of Alkali-Metal Ions on the Armchair Single-Wall Nanotubes[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2009,113(5):791-796. |
| APA | 李炯.,李海铭.,LIANG, XIANQING.,张硕.,赵挺.,...&Wu, ZY.(2009).First Principles Study on the Diffusion of Alkali-Metal Ions on the Armchair Single-Wall Nanotubes.JOURNAL OF PHYSICAL CHEMISTRY A,113(5),791-796. |
| MLA | 李炯,et al."First Principles Study on the Diffusion of Alkali-Metal Ions on the Armchair Single-Wall Nanotubes".JOURNAL OF PHYSICAL CHEMISTRY A 113.5(2009):791-796. |
入库方式： OAI收割
来源：高能物理研究所
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