Electronic structures of defective boron nitride nanotubes under transverse electric fields

Shuanglin Hu; Zhenyu Li; X. C. Zeng; Jinlong Yang

doi:10.1021/jp800096s

Electronic structures of defective boron nitride nanotubes under transverse electric fields

Shuanglin Hu, Zhenyu Li, X. C. Zeng, Jinlong Yang

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

34 Citations (Scopus)

Abstract

We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with antisite, carbon substitution, single vacancy, and Stone-Wales 5775 defects are studied. Under transverse electric fields, the band gaps of the defective BNNTs are reduced, similar to the pristine ones. The energy levels of the defect states vary with the transverse electric field directions, due to the different electrostatic potential shift at the defect sites induced by the electric fields. Therefore, besides electronic structure and optical property engineering, the transverse electric field can be used to identify the defect positions in BNNTs. © 2008 American Chemical Society.

Original language	English
Pages (from-to)	8424-8428
Journal	The Journal of Physical Chemistry C
Volume	112
Issue number	22
DOIs	https://doi.org/10.1021/jp800096s
Publication status	Published - 5 Jun 2008
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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title = "Electronic structures of defective boron nitride nanotubes under transverse electric fields",

abstract = "We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with antisite, carbon substitution, single vacancy, and Stone-Wales 5775 defects are studied. Under transverse electric fields, the band gaps of the defective BNNTs are reduced, similar to the pristine ones. The energy levels of the defect states vary with the transverse electric field directions, due to the different electrostatic potential shift at the defect sites induced by the electric fields. Therefore, besides electronic structure and optical property engineering, the transverse electric field can be used to identify the defect positions in BNNTs. {\textcopyright} 2008 American Chemical Society.",

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AU - Hu, Shuanglin

AU - Li, Zhenyu

AU - Zeng, X. C.

AU - Yang, Jinlong

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2008/6/5

Y1 - 2008/6/5

N2 - We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with antisite, carbon substitution, single vacancy, and Stone-Wales 5775 defects are studied. Under transverse electric fields, the band gaps of the defective BNNTs are reduced, similar to the pristine ones. The energy levels of the defect states vary with the transverse electric field directions, due to the different electrostatic potential shift at the defect sites induced by the electric fields. Therefore, besides electronic structure and optical property engineering, the transverse electric field can be used to identify the defect positions in BNNTs. © 2008 American Chemical Society.

AB - We investigate the electronic structures of some defective boron nitride nanotubes (BNNTs) under transverse electric fields within density-functional theory. (16,0) BNNTs with antisite, carbon substitution, single vacancy, and Stone-Wales 5775 defects are studied. Under transverse electric fields, the band gaps of the defective BNNTs are reduced, similar to the pristine ones. The energy levels of the defect states vary with the transverse electric field directions, due to the different electrostatic potential shift at the defect sites induced by the electric fields. Therefore, besides electronic structure and optical property engineering, the transverse electric field can be used to identify the defect positions in BNNTs. © 2008 American Chemical Society.

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EP - 8428

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

IS - 22

ER -

Electronic structures of defective boron nitride nanotubes under transverse electric fields

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