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Journal of Nanomaterials
Volume 2017 (2017), Article ID 7601869, 11 pages
https://doi.org/10.1155/2017/7601869
Research Article

Structural Derivative and Electronic Property of Armchair Carbon Nanotubes from Carbon Clusters

1College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, China
2Key Laboratory of Mineral Luminescence Materials and Microstructures of Xinjiang Uygur Autonomous Region, Urumqi 830054, China

Correspondence should be addressed to Hengjiang Zhu

Received 16 September 2016; Accepted 14 November 2016; Published 8 February 2017

Academic Editor: Yu-Lun Chueh

Copyright © 2017 Yuchao Tang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The structural derivative and electronic property of carbon nanotubes from carbon clusters were investigated by density functional theory (DFT), including armchair single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs). Results show that the carbon nanotubes (CNTs) can be obtained through layer-by-layer growth from the initial structure. The structural derivative processes are quantitatively described by monitoring changes in local configuration. Electronic properties show the energy gaps of finite SWCNTs and double-walled CNTs (DWCNTs) depending on their lengths. However, the band structures of MWCNTs differ from those of SWCNTs; the band structures of DWCNTs (4, 4)@(8, 8), (5, 5)@(10, 10), and TWCNTs show metallicity, whereas those of (3, 3)@(6, 6) DWCNTs show a strong semiconductor characteristic. Analysis of the partial density of states shows that the diameters and walls of CNTs have no obvious effects on the distribution of total density of states near the Fermi level of SWCNTs and MWCNTs.