FIRST-PRINCIPLES STUDY OF DOPED SINGLE WALL CARBON NANOTUBES-Reference-Cited by-同舟云学术

FIRST-PRINCIPLES STUDY OF DOPED SINGLE WALL CARBON NANOTUBES

Published:2005-09 Issue:09 Volume:16 Page:1363-1369
ISSN:0129-1831
Container-title:International Journal of Modern Physics C
language:en
Short-container-title:Int. J. Mod. Phys. C

Author:

MAO YU-LIANG¹,YAN XIAO-HONG²,XIAO YANG³,CAO JUE-XIAN³,XIANG JUN³

Affiliation:

1. Department of Physics & Institute of Modern Physics and Key Laboratory for Advanced, Materials and Rhelogical Properties of Ministry of Education, Xiangtan University, Xiangtan 411105, Hunan, China

2. College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China

3. Department of Physics & Institute of Modern Physics, Xiangtan University, Xiangtan 411105, Hunan, China

Abstract

We investigate boron and nitrogen substitutional doping single wall carbon nanotubes (SWCNTs) by first-principles calculations. The optimized geometres of boron and nitrogen substituted SWCNTs exhibit bamboo-like structures. Boron and nitrogen impurities form acceptor and donor states in semiconductor SWCNTs. The highest occupied molecular orbital (HOMO) indicates the trend of forming inter-tube bonds in doping SWCNTs. It may start a new way to form inter-tube bonds by doping in SWCNTs.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0129183105007984

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