Chemically decorated boron-nitride nanoribbons

Xiao Jun Wu; Men Hao Wu; Xiao Cheng Zeng

doi:10.1007/s11467-009-0022-x

Chemically decorated boron-nitride nanoribbons

Xiao Jun Wu, Men Hao Wu, Xiao Cheng Zeng

Chemistry

Research output: Contribution to journal › Article › peer-review

62 Scopus citations

Abstract

Motivated by recent studies of graphenen nanoribbons (GNRs), we explored electronic properties of pure and chemically modified boron nitride nanoribbons (BNNRs) using the density functional theory method. Pure BNNRs with both edges fully saturated by hydrogen are semiconducting with wide band gaps. Values of the band gap depend on the width and the type of edge. The chemical decoration of BNNRs' edges with four different functional groups, including -F, -Cl, -OH, and -NO₂, was investigated. The band-gap modulation by chemical decoration may be exploited for nanoelectronic applications.

Original language	English (US)
Pages (from-to)	367-372
Number of pages	6
Journal	Frontiers of Physics in China
Volume	4
Issue number	3
DOIs	https://doi.org/10.1007/s11467-009-0022-x
State	Published - Sep 2009

Keywords

Boron-nitride nanoribbons
Chemical modification

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

Access to Document

10.1007/s11467-009-0022-x

Cite this

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title = "Chemically decorated boron-nitride nanoribbons",

abstract = "Motivated by recent studies of graphenen nanoribbons (GNRs), we explored electronic properties of pure and chemically modified boron nitride nanoribbons (BNNRs) using the density functional theory method. Pure BNNRs with both edges fully saturated by hydrogen are semiconducting with wide band gaps. Values of the band gap depend on the width and the type of edge. The chemical decoration of BNNRs' edges with four different functional groups, including -F, -Cl, -OH, and -NO2, was investigated. The band-gap modulation by chemical decoration may be exploited for nanoelectronic applications.",

keywords = "Boron-nitride nanoribbons, Chemical modification",

author = "Wu, {Xiao Jun} and Wu, {Men Hao} and Zeng, {Xiao Cheng}",

note = "Funding Information: Acknowledgements This work was supported by grants from the National Science Foundation (Grant Nos. CHE-0427746, CHE-0701540 and CMMI-0709333), the Nebraska Research Initiative, the National Science Foundation of China (Grant No. 20628304), and by the Research Computing Facility at University of Nebraska– Lincoln and Holland Supercomputing Center at University of Nebraska–Omaha.",

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doi = "10.1007/s11467-009-0022-x",

language = "English (US)",

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journal = "Frontiers of Physics in China",

issn = "1673-3487",

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T1 - Chemically decorated boron-nitride nanoribbons

AU - Wu, Xiao Jun

AU - Wu, Men Hao

AU - Zeng, Xiao Cheng

N1 - Funding Information: Acknowledgements This work was supported by grants from the National Science Foundation (Grant Nos. CHE-0427746, CHE-0701540 and CMMI-0709333), the Nebraska Research Initiative, the National Science Foundation of China (Grant No. 20628304), and by the Research Computing Facility at University of Nebraska– Lincoln and Holland Supercomputing Center at University of Nebraska–Omaha.

PY - 2009/9

Y1 - 2009/9

N2 - Motivated by recent studies of graphenen nanoribbons (GNRs), we explored electronic properties of pure and chemically modified boron nitride nanoribbons (BNNRs) using the density functional theory method. Pure BNNRs with both edges fully saturated by hydrogen are semiconducting with wide band gaps. Values of the band gap depend on the width and the type of edge. The chemical decoration of BNNRs' edges with four different functional groups, including -F, -Cl, -OH, and -NO2, was investigated. The band-gap modulation by chemical decoration may be exploited for nanoelectronic applications.

AB - Motivated by recent studies of graphenen nanoribbons (GNRs), we explored electronic properties of pure and chemically modified boron nitride nanoribbons (BNNRs) using the density functional theory method. Pure BNNRs with both edges fully saturated by hydrogen are semiconducting with wide band gaps. Values of the band gap depend on the width and the type of edge. The chemical decoration of BNNRs' edges with four different functional groups, including -F, -Cl, -OH, and -NO2, was investigated. The band-gap modulation by chemical decoration may be exploited for nanoelectronic applications.

KW - Boron-nitride nanoribbons

KW - Chemical modification

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Chemically decorated boron-nitride nanoribbons

Abstract

Keywords

ASJC Scopus subject areas

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