First-principles study of single-walled armchair Cx(BN) y nanotubes

C. S. Guo; W. J. Fan; Z. H. Chen; R. Q. Zhang

doi:10.1016/j.ssc.2006.01.012

First-principles study of single-walled armchair Cx(BN) y nanotubes

C. S. Guo, W. J. Fan, Z. H. Chen, R. Q. Zhang

Centre of Super-Diamond and Advanced Films

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

20 Citations (Scopus)

Abstract

The structural and electronic properties of the armchair C _x(BN)_y nanotubes are studied using the density functional theory with a generalized gradient approximation. The results show that the properties of the C_x(BN)_y nanotubes are intermediate between those of carbon nanotubes and BN nanotubes, and also adjustable by their radius, ratio of carbon component, and configurations. © 2006 Elsevier Ltd. All rights reserved.

Original language	English
Pages (from-to)	549-552
Journal	Solid State Communications
Volume	137
Issue number	10
DOIs	https://doi.org/10.1016/j.ssc.2006.01.012
Publication status	Published - Mar 2006

Research Keywords

A. Cx(BN)y
A. Nanotube
D. Band structure
D. Strain energy
E. First-principles calculation

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10.1016/j.ssc.2006.01.012

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abstract = "The structural and electronic properties of the armchair C x(BN)y nanotubes are studied using the density functional theory with a generalized gradient approximation. The results show that the properties of the Cx(BN)y nanotubes are intermediate between those of carbon nanotubes and BN nanotubes, and also adjustable by their radius, ratio of carbon component, and configurations. {\textcopyright} 2006 Elsevier Ltd. All rights reserved.",

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year = "2006",

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T1 - First-principles study of single-walled armchair Cx(BN) y nanotubes

AU - Guo, C. S.

AU - Fan, W. J.

AU - Chen, Z. H.

AU - Zhang, R. Q.

PY - 2006/3

Y1 - 2006/3

N2 - The structural and electronic properties of the armchair C x(BN)y nanotubes are studied using the density functional theory with a generalized gradient approximation. The results show that the properties of the Cx(BN)y nanotubes are intermediate between those of carbon nanotubes and BN nanotubes, and also adjustable by their radius, ratio of carbon component, and configurations. © 2006 Elsevier Ltd. All rights reserved.

AB - The structural and electronic properties of the armchair C x(BN)y nanotubes are studied using the density functional theory with a generalized gradient approximation. The results show that the properties of the Cx(BN)y nanotubes are intermediate between those of carbon nanotubes and BN nanotubes, and also adjustable by their radius, ratio of carbon component, and configurations. © 2006 Elsevier Ltd. All rights reserved.

KW - A. Cx(BN)y

KW - A. Nanotube

KW - D. Band structure

KW - D. Strain energy

KW - E. First-principles calculation

UR - http://www.scopus.com/inward/record.url?scp=32844468451&partnerID=8YFLogxK

UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-32844468451&origin=recordpage

U2 - 10.1016/j.ssc.2006.01.012

DO - 10.1016/j.ssc.2006.01.012

M3 - RGC 21 - Publication in refereed journal

SN - 0038-1098

VL - 137

SP - 549

EP - 552

JO - Solid State Communications

JF - Solid State Communications

IS - 10

ER -

First-principles study of single-walled armchair Cx(BN) y nanotubes

Abstract

Research Keywords

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