Proceedings of the 2015 International Conference on Material Science and Applications

The Structure and Electronic Properties of C80 Carbon Nanotube

Authors
Zhong-Shuo Zhang, Xiu-Rong Zhang, Jiang Gu, Pan-Tao Ma
Corresponding Author
Zhong-Shuo Zhang
Available Online June 2014.
DOI
https://doi.org/10.2991/icmsa-15.2015.111How to use a DOI?
Keywords
C80 carbon nanotube, Structure and stability, Electronic properties, Density functional theory.
Abstract
The possible geometrical and electronic structures of C80 carbon nano-tube (CNTs) are optimized by using the density functional theory at B3LYP/6-31G level. The stability of the ground state structure has been studied, and its electronic properties have been calculated. The calculate results showed that C atoms are sp2 hybridization, but the coalescent between the two C atoms includes covalent bond and a spot of electrovalent bond. The molecular orbitals of C80 Carbon Nanotube had obvious delocalization characteristics.
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Proceedings
2015 International Conference on Material Science and Applications (icmsa-15)
Part of series
Advances in Physics Research
Publication Date
June 2014
ISBN
978-94-62520-75-2
ISSN
2352-541X
DOI
https://doi.org/10.2991/icmsa-15.2015.111How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Zhong-Shuo Zhang
AU  - Xiu-Rong Zhang
AU  - Jiang Gu
AU  - Pan-Tao Ma
PY  - 2014/06
DA  - 2014/06
TI  - The Structure and Electronic Properties of C80 Carbon Nanotube
BT  - 2015 International Conference on Material Science and Applications (icmsa-15)
PB  - Atlantis Press
SP  - 607
EP  - 611
SN  - 2352-541X
UR  - https://doi.org/10.2991/icmsa-15.2015.111
DO  - https://doi.org/10.2991/icmsa-15.2015.111
ID  - Zhang2014/06
ER  -