Study of rare-gas atom injection into defective carbon nanotube by molecular dynamics simulation
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Published:2007
Issue:3
Volume:56
Page:1494
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ISSN:1000-3290
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Container-title:Acta Physica Sinica
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language:
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Short-container-title:Acta Phys. Sin.
Author:
Jin Nian-Qing ,Teng Yu-Yong ,Gu Bin ,Zeng Xiang-Hua ,
Abstract
Based on the classical molecular dynamics method and using TLHT potential, the dynamic processes of rare-gas atom (He, Ne, Ar, Kr, Xe) injection into defective single-wall carbon nanotube (SWCNT) are investigated. The threshold energies of rare-gas atoms injected into a defective wall and absorbed on an open end of SWCNT are obtained and compared with the case of perfect SWCNT. It shows that the threshold energy Ek0 decreases with increasing of the defect size. When the defect radius is less than 4.5 ?,the rare-gas atoms with proper threshold energies can be encapsulated in SWCNT. But when the defect radius is over 4.5 ?,the rare-gas atoms can not be encapsulated in SWCNT, and the transport properties of Ar, Kr and Xe will change greatly.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
Cited by
2 articles.
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