| Dependence of In—Tube Carbon Chain on the Radius and Helicity of Single—Wall Carbon Nanotubes |
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| 作者姓名： | 刘红 董锦明 等 |
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| 作者单位： | [1]GroupofComputationalCondensedMatterPhysics,NationalLaboratoryofSolidStateMicrostructuresandDepartmentofPhysics,NanjingUniversity,Nanjing210093 [2]GroupofComputationalCondensedMatterPhysics,NationalLabora |
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| 摘 要： | Using the Lannard-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.
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| 关 键 词： | 碳毫微管 单壁碳毫微管 管内碳链 径向关系 |
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