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Structural Derivative and Electronic Property of Armchair Carbon Nanotubes from Carbon Clusters
Joint Authors
Tang, Yuchao
Lu, Junzhe
Liu, Denghui
Yan, Xuejun
Yao, Chengpeng
Zhu, Hengjiang
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-02-08
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Tang, Yuchao& Lu, Junzhe& Liu, Denghui& Yan, Xuejun& Yao, Chengpeng& Zhu, Hengjiang. 2017. Structural Derivative and Electronic Property of Armchair Carbon Nanotubes from Carbon Clusters. Journal of Nanomaterials،Vol. 2017, no. 2017, pp.1-11.
https://search.emarefa.net/detail/BIM-1183585
Modern Language Association (MLA)
Tang, Yuchao…[et al.]. Structural Derivative and Electronic Property of Armchair Carbon Nanotubes from Carbon Clusters. Journal of Nanomaterials No. 2017 (2017), pp.1-11.
https://search.emarefa.net/detail/BIM-1183585
American Medical Association (AMA)
Tang, Yuchao& Lu, Junzhe& Liu, Denghui& Yan, Xuejun& Yao, Chengpeng& Zhu, Hengjiang. Structural Derivative and Electronic Property of Armchair Carbon Nanotubes from Carbon Clusters. Journal of Nanomaterials. 2017. Vol. 2017, no. 2017, pp.1-11.
https://search.emarefa.net/detail/BIM-1183585
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1183585