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Frontiers of Physics

ISSN 2095-0462

ISSN 2095-0470(Online)

CN 11-5994/O4

邮发代号 80-965

2019 Impact Factor: 2.502

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Chemically decorated boron-nitride nanoribbons
Cite this article
Xiao-jun WU, Men-hao WU, Xiao Cheng ZENG. Chemically decorated boron-nitride nanoribbons. Frontiers of Physics in China, 2009, 4(3): 367-372  
Copyright©2014, Higher Education Press and Springer-Verlag Berlin Heidelberg
This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Chemically decorated boron-nitride nanoribbons
Xiao-jun WU, Men-hao WU, Xiao Cheng ZENG
Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska–Lincoln, Lincoln, NB 68588, USA
xzeng1@unl.edu
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.

Keyword: boron–nitride nanoribbons; chemical modification
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