Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

Bo Xiao; Xuefang Yu; Hong Hu; Yihong Ding

doi:10.1016/j.cplett.2014.05.095

Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

Bo Xiao, Xuefang Yu, Hong Hu, Yihong Ding

The Hong Kong Polytechnic University

Research output: Journal article publication › Journal article › Academic research › peer-review

3 Citations (Scopus)

Abstract

In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure is obtained via Be-decorated armchair boron nitride nanoribbon (aBNNR). The high stability of such a ptN system is confirmed by both global minimization and molecular dynamical simulation at 1500 K. The results suggest that this Be-decorated aBNNR will be a thermally stable material. The electronic property of aBNNR is significantly increased after the addition of Be atoms to the edges and the band gap decreases as the width of the ribbon decreases. Our Letter posits a new and potentially stable and useful BNNR and augments the literature on ptN.

Original language	English
Pages (from-to)	277-283
Number of pages	7
Journal	Chemical Physics Letters
Volume	608
DOIs	https://doi.org/10.1016/j.cplett.2014.05.095
Publication status	Published - 21 Jul 2014

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2014.05.095

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title = "Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity",

abstract = "In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure is obtained via Be-decorated armchair boron nitride nanoribbon (aBNNR). The high stability of such a ptN system is confirmed by both global minimization and molecular dynamical simulation at 1500 K. The results suggest that this Be-decorated aBNNR will be a thermally stable material. The electronic property of aBNNR is significantly increased after the addition of Be atoms to the edges and the band gap decreases as the width of the ribbon decreases. Our Letter posits a new and potentially stable and useful BNNR and augments the literature on ptN.",

author = "Bo Xiao and Xuefang Yu and Hong Hu and Yihong Ding",

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T1 - Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

AU - Xiao, Bo

AU - Yu, Xuefang

AU - Hu, Hong

AU - Ding, Yihong

PY - 2014/7/21

Y1 - 2014/7/21

N2 - In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure is obtained via Be-decorated armchair boron nitride nanoribbon (aBNNR). The high stability of such a ptN system is confirmed by both global minimization and molecular dynamical simulation at 1500 K. The results suggest that this Be-decorated aBNNR will be a thermally stable material. The electronic property of aBNNR is significantly increased after the addition of Be atoms to the edges and the band gap decreases as the width of the ribbon decreases. Our Letter posits a new and potentially stable and useful BNNR and augments the literature on ptN.

AB - In this Letter, a new kind of planar tetracoordinate nitride (ptN) structure is obtained via Be-decorated armchair boron nitride nanoribbon (aBNNR). The high stability of such a ptN system is confirmed by both global minimization and molecular dynamical simulation at 1500 K. The results suggest that this Be-decorated aBNNR will be a thermally stable material. The electronic property of aBNNR is significantly increased after the addition of Be atoms to the edges and the band gap decreases as the width of the ribbon decreases. Our Letter posits a new and potentially stable and useful BNNR and augments the literature on ptN.

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DO - 10.1016/j.cplett.2014.05.095

M3 - Journal article

SN - 0009-2614

VL - 608

SP - 277

EP - 283

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity

Abstract

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