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
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
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.
Received: 20 July 2002
Revised: 16 January 2003
Accepted manuscript online:
Liu Hong (刘红), Dong Jin-Ming (董锦明), Qian Mei-Chun (钱湄杶), Wan Xian-Gang (万贤纲) Dependence of in-tube doping on the radius and helicity of single-wall carbon nanotubes 2003 Chinese Physics 12 542
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