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

Chin. Phys. Lett.

2002, Vol. 19

Issue (1): 98-100 DOI:

Original Articles

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

LIU Hong;DONG Jin-Ming;WAN Xian-Gang

Group of Computational Condensed Matter Physics, National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093

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LIU Hong, DONG Jin-Ming, WAN Xian-Gang 2002 Chin. Phys. Lett. 19 98-100

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Abstract Using the Lennard-Jones interaction potential, we have studied the in-tube carbon-chain structure doped into the 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 4.30Å.

Keywords: 61.48.+c 61.46.+w 68.55.Ln 34.20.cf

Published: 01 January 2002

PACS:	61.48.+c
	61.46.+w
	68.55.Ln	(Defects and impurities: doping, implantation, distribution, concentration, etc.)
	34.20.Cf	(Interatomic potentials and forces)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2002/V19/I1/098

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