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Carbon-chain inserting effect on electronic behavior of single-walled carbon nanotubes: a density functional theory study

Published online by Cambridge University Press:  19 March 2018

Hao Cui ,
Qingjuan Li ,
Guibao Qiu  and
Jian Wang
Hao Cui
Affiliation:
State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China
Qingjuan Li
Affiliation:
College of Materials Science and Engineering, Chongqing University, Chongqing 400040, China
Guibao Qiu*
Affiliation:
College of Materials Science and Engineering, Chongqing University, Chongqing 400040, China
Jian Wang
Affiliation:
College of Materials Science and Engineering, Chongqing University, Chongqing 400040, China
*
Address all correspondence to Guibao Qiu at [email protected]
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Abstract

By inserting a carbon chain, the geometric structure and electronic properties of carbon nanotube (CNT) would undergo a significant change. Numerous studies have conducted to experimentally find the insertion effect of carbon chains on CNTs. This paper in a theoretical way studied the geometry of carbon chains inserted CNTs and analyzed the mechanism for conductivity change after insertion of carbon chains. Results indicate that carbon chains in the innermost channel of the tube are effective methods for transforming the electrical properties of the CNT, leading to the redistribution of electron and thereby causing the conductivity change in obtained configurations.

Type
Research Letters
Information
MRS Communications , Volume 8 , Issue 1 , March 2018 , pp. 189 - 193
Copyright
Copyright © Materials Research Society 2018 

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