Dependence of In-Tube Carbon Chain on the Radius and Helicity of Single-Wall Carbon Nanotubes

• 来源期刊: 中国物理快报（英文版）
• 学科: 物理学
• 年，卷（期）: 2002,（1）
• 页码范围: 98-100
• 页数: 3页
• 分类号: O4
• 语种: 英文

摘要

Using the Lennard-Jones interaction potential, we have studied the in-tube carbon-chain structure doped into single-wall carbon nanotubes (SWCNTs). Through minimizing the potential energy of the doped system, it is found that the optimal structure of the doping carbon chain is spiral, but not a straight line, when the radius of the SWCNT is larger than about 4.30A.