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篇目详细内容 |
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【篇名】 |
Chemically decorated boron-nitride nanoribbons |
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【刊名】 |
Frontiers of Physics in China |
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【刊名缩写】 |
Front. Phys. China |
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【ISSN】 |
1673-3487 |
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【EISSN】 |
1673-3606 |
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【DOI】 |
10.1007/s11467-009-0022-x |
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【出版社】 |
Higher Education Press and Springer-Verlag |
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【出版年】 |
2009 |
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【卷期】 |
4
卷3期 |
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【页码】 |
367-372
页,共
6
页 |
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【作者】 |
Xiao-jun WU;
Men-hao WU;
Xiao Cheng ZENG;
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【关键词】 |
boron–nitride nanoribbons; chemical modification |
【摘要】 |
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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. |
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