Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings

doi:10.1007/s11467-018-0792-0

Front. Phys.

2018, Vol. 13

Issue (4) : 136106 https://doi.org/10.1007/s11467-018-0792-0

RESEARCH ARTICLE

Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings

Xiao-Ning Wang¹, Jun-Zhe Lu^1,²(

), Heng-Jiang Zhu^1,²(

), Fang-Fang Li¹, Miao-Miao Ma¹, Gui-Ping Tan¹

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

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Abstract

Based on experimental results, we obtain five types of single-walled carbon nanotube (SWNT) clusters with different chirality indices and diameters using density functional theory (DFT). We then obtain the corresponding SWNTs by using periodic boundary conditions. Studies of the stability and electronic properties show that the stability of the novel SWNTs is independent of the chirality index and relates only to the tube diameter; larger diameters correspond to more stable SWNTs. The electronic properties all show metallic characteristics independent of the chirality indices and tube diameters, thereby promoting the application of metallic-type SWNTs.

Keywords four- and eight-membered rings novel SWNTs stability electronic properties

Corresponding Author(s): Jun-Zhe Lu,Heng-Jiang Zhu

Issue Date: 08 June 2018

Cite this article:

Xiao-Ning Wang,Jun-Zhe Lu,Heng-Jiang Zhu, et al. Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings[J]. Front. Phys. , 2018, 13(4): 136106.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-018-0792-0
https://academic.hep.com.cn/fop/EN/Y2018/V13/I4/136106

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