A Density Functional Theory Study of New Boron Nanotubes.
Using first-principles calculations, a series of new boron nanotubes (BNTs), which show various electronic properties, were theoretically predicted. Stable nanotubes with various chiral vectors and diameters can be formed by rolling up the boron sheet with relative stability [H. Tang and S. I. Beigi...
| Publicado en: | Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 72; no. 12; pp. 1145 - 1151 |
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| Autores principales: | , |
| Formato: | Artículo |
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De Gruyter
Dec2017
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=127752102&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 127752102 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 09320784 FL07 jtl: Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences issn: 09320784 maglogo: N pubinfo: dt: Dec2017 vid: 72 iid: 12 pid: 1734 pub: De Gruyter artinfo: ui: 127752102 10.1515/zna-2017-0192 ppf: 1145 ppct: 6 formats: tig: atl: A Density Functional Theory Study of New Boron Nanotubes. aug: au: Zhao-Hua Chen Zun Xie affil: Shijiazhuang Institute of Technology, Shijiazhuang 050228, China su: Boron Nanotubes Density functional theory Chemical bonds Electronics sug: subj: Boron Nanotubes Density functional theory Chemical bonds Electronics keyword: Boron Nanotubes Boron Sheet Density Functional Theory Electronic Structure ab: Using first-principles calculations, a series of new boron nanotubes (BNTs), which show various electronic properties, were theoretically predicted. Stable nanotubes with various chiral vectors and diameters can be formed by rolling up the boron sheet with relative stability [H. Tang and S. I. Beigi, Phys. Rev. B 82, 115412 (2010).]. By increasing the diameter for BNT, the stability is enhanced. The calculated density of states and band structures demonstrate that all the predicted BNTs are metallic, regardless of their diameter and chirality. The multicentre chemical bonds of the relatively stable boron sheet and BNTs are analysed using the deformation electron density. Within our study, the BNTs all have metallic conductive characteristics, in addition to having a low effective quality and high carrier concentration, which are very good nanoconductive material properties and could be combined to form high-power electrodes for lithium-ion batteries such as those used in many modern electronics. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2017 holdings: @attributes: islocal: N |
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