中国物理B ›› 2003, Vol. 12 ›› Issue (5): 542-547.doi: 10.1088/1009-1963/12/5/315

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Dependence of in-tube doping on the radius and helicity of single-wall carbon nanotubes

刘红1, 董锦明2, 钱湄杶2, 万贤纲2   

  1. (1)Department of Physics, Nanjing University, Nanjing 210093, China; Department of Physics, Nanjing Normal University, Nanjing 210097, China; (2)Group of Computational Condensed Matter Physics, State Key Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093, China
  • 收稿日期:2002-07-20 修回日期:2003-01-16 出版日期:2003-05-16 发布日期:2005-03-16

Dependence of in-tube doping on the radius and helicity of single-wall carbon nanotubes

Liu Hong (刘红)ab, Dong Jin-Ming (董锦明)c, Qian Mei-Chun (钱湄杶)c, Wan Xian-Gang (万贤纲)c   

  1. a Department of Physics, Nanjing University, Nanjing 210093, China; b Department of Physics, Nanjing Normal University, Nanjing 210097, China; c Group of Computational Condensed Matter Physics, State Key Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093, China
  • Received:2002-07-20 Revised:2003-01-16 Online:2003-05-16 Published:2005-03-16

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摘要： Using the Lennard－Jones interaction potential between the impurity atom and carbon atom, we have studied the dependence of in-tube impurity doping on the radius of a single-wall carbon nanotube (SWNT), as well as its helicity. The obtained results show that the radius of the most stably doped SWNT is different for different kinds of impurity atoms. This is useful for producing the required doped SWNT. In addition, it is found that the helicity of tube has a strong effect on the potential energy of the atoms doped in the SWNT.

Abstract: Using the Lennard－Jones interaction potential between the impurity atom and carbon atom, we have studied the dependence of in-tube impurity doping on the radius of a single-wall carbon nanotube (SWNT), as well as its helicity. The obtained results show that the radius of the most stably doped SWNT is different for different kinds of impurity atoms. This is useful for producing the required doped SWNT. In addition, it is found that the helicity of tube has a strong effect on the potential energy of the atoms doped in the SWNT.

Key words: single-wall carbon nanotube, impurity atom, Lennard－Jones potential

中图分类号:  (Structure of nanoscale materials)

  • 61.46.-w
34.20.Cf (Interatomic potentials and forces)