Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials

Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials

A new class of carbon nanomaterials composed of alternating four- and eight-membered rings is studied by density functional theory (DFT), including single-walled carbon nanotubes (SWCNTs) double-walled carbon nanotubes (DWCNTs) and triple-walled CNTs (TWCNTs). The analysis of geometrical structure s...

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Main Authors: Fangfang Li, Junzhe Lu, Hengjiang Zhu, Xiang Lin
Format: Article
Language:English
Published: Elsevier 2018-06-01
Series:Results in Physics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379717325780
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spelling doaj-0a4b2ccec80a40e7bf2576dea7df31152020-11-24T21:55:34ZengElsevierResults in Physics2211-37972018-06-019656664Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterialsFangfang Li0Junzhe Lu1Hengjiang Zhu2Xiang Lin3College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR ChinaCollege of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR China; Key Laboratory of Mineral Luminescence Materials and Microstructures of Xinjiang Uygur Autonomous Region, Urumqi 830054, PR China; Corresponding authors at: College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR China.College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR China; Key Laboratory of Mineral Luminescence Materials and Microstructures of Xinjiang Uygur Autonomous Region, Urumqi 830054, PR China; Corresponding authors at: College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR China.College of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, PR ChinaA new class of carbon nanomaterials composed of alternating four- and eight-membered rings is studied by density functional theory (DFT), including single-walled carbon nanotubes (SWCNTs) double-walled carbon nanotubes (DWCNTs) and triple-walled CNTs (TWCNTs). The analysis of geometrical structure shows that carbon atoms’ hybridization in novel carbon tubular clusters (CTCs) and the corresponding carbon nanotubes (CNTs) are both sp2 hybridization; The thermal properties exhibit the high stability of these new CTCs. The results of energy band and density of state (DOS) indicate that the electronic properties of CNTs are independent of their diameter, number of walls and chirality, exhibit obvious metal properties. Keywords: Four- and eight-membered rings, Carbon nanotubes, Stability, Electronic propertieshttp://www.sciencedirect.com/science/article/pii/S2211379717325780
collection DOAJ
language English
format Article
sources DOAJ
author Fangfang Li
Junzhe Lu
Hengjiang Zhu
Xiang Lin
spellingShingle Fangfang Li
Junzhe Lu
Hengjiang Zhu
Xiang Lin
Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
Results in Physics
author_facet Fangfang Li
Junzhe Lu
Hengjiang Zhu
Xiang Lin
author_sort Fangfang Li
title Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
title_short Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
title_full Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
title_fullStr Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
title_full_unstemmed Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials
title_sort four- and eight-membered rings carbon nanotubes: a new class of carbon nanomaterials
publisher Elsevier
series Results in Physics
issn 2211-3797
publishDate 2018-06-01
description A new class of carbon nanomaterials composed of alternating four- and eight-membered rings is studied by density functional theory (DFT), including single-walled carbon nanotubes (SWCNTs) double-walled carbon nanotubes (DWCNTs) and triple-walled CNTs (TWCNTs). The analysis of geometrical structure shows that carbon atoms’ hybridization in novel carbon tubular clusters (CTCs) and the corresponding carbon nanotubes (CNTs) are both sp2 hybridization; The thermal properties exhibit the high stability of these new CTCs. The results of energy band and density of state (DOS) indicate that the electronic properties of CNTs are independent of their diameter, number of walls and chirality, exhibit obvious metal properties. Keywords: Four- and eight-membered rings, Carbon nanotubes, Stability, Electronic properties
url http://www.sciencedirect.com/science/article/pii/S2211379717325780
work_keys_str_mv AT fangfangli fourandeightmemberedringscarbonnanotubesanewclassofcarbonnanomaterials
AT junzhelu fourandeightmemberedringscarbonnanotubesanewclassofcarbonnanomaterials
AT hengjiangzhu fourandeightmemberedringscarbonnanotubesanewclassofcarbonnanomaterials
AT xianglin fourandeightmemberedringscarbonnanotubesanewclassofcarbonnanomaterials
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