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
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
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.
LIU Hong;DONG Jin-Ming;WAN Xian-Gang. Dependence of In-Tube Carbon Chain on the Radius and Helicity
of Single-Wall Carbon Nanotubes[J]. 中国物理快报, 2002, 19(1): 98-100.
LIU Hong, DONG Jin-Ming, WAN Xian-Gang. Dependence of In-Tube Carbon Chain on the Radius and Helicity
of Single-Wall Carbon Nanotubes. Chin. Phys. Lett., 2002, 19(1): 98-100.
2002, Vol. 19 
