Molecular Charge Transfer: A Simple and Effective Route To Engineer the Band Structures of BN Nanosheets and Nanoribbons
Molecular Charge Transfer: A Simple and Effective Route To Engineer the Band Structures of BN Nanosheets and Nanoribbons
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分子电荷转移：设计 BN 纳米片和纳米带能带结构的简单而有效的途径
DOI：
10.1021/jp2067205
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发表时间：
2011-09
影响因子：
3.7
通讯作者：
Chen, Zhongfang
中科院分区：
文献类型：
--
作者：
Tang, Qing;Zhou, Zhen;Chen, Zhongfang
通过密度泛函理论计算研究了掺杂具有强给电子或受电子能力的有机分子的氮化硼纳米片和纳米带的电子性质。氮化硼……之间的界面电荷转移（原文此处“BN n”似乎不完整）
The electronic properties of BN nanosheets and nanoribbons doped with organic molecules with strong electron-donating or accepting abilities were investigated by means of density functional theory computations. The interfacial charge transfer between BN nanosheets and the acceptor (tetracyanoquinodimethane, TCNQ) or donor (tetrathiafulvalene, TTF) molecule significantly reduces the intrinsic wide band gap of pristine BN nanosheets and consequently results in a p- or n-type semiconductor, respectively. Similar behavior is observed for both zigzag and armchair-edged BN nanoribbons. These findings suggest a simple and effective route to tune the electronic properties of BN materials in a wide range and also facilitate the design of BN-based molecular electronics.
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石墨氮化硼片材中的双空位
DOI：
10.1209/0295-5075/86/46002
发表时间：
2009-05
期刊：
EPL (Europhysics Letters)
影响因子：
--
作者：
J. Y. Li;X. N. Niu;H. G. Shi;M. S. Si;D. S. Xue
通讯作者：
D. S. Xue
DOI：
--
发表时间：
2009
期刊：
Journal of Physics: Condensed Matter
影响因子：
--
作者：
H. Pinto;Robert Jones;J. Goss;P. Briddon
通讯作者：
H. Pinto;Robert Jones;J. Goss;P. Briddon
影响因子：
3.7
作者：
Xingfa Gao;Zhen Zhou;Yuliang Zhao;S. Nagase;Shengbai Zhang;Zhongfang Chen
通讯作者：
Xingfa Gao;Zhen Zhou;Yuliang Zhao;S. Nagase;Shengbai Zhang;Zhongfang Chen
影响因子：
9.5
作者：
Gao, Zhenghong;Zhi, Chunyi;Serizawa, Takeshi
通讯作者：
Serizawa, Takeshi
DOI：
10.1063/1.2901026
发表时间：
2008-04
期刊：
The Journal of chemical physics
影响因子：
--
作者：
Wei He;Zhenyu Li;Jinlong Yang;Jianbo Hou
通讯作者：
Wei He;Zhenyu Li;Jinlong Yang;Jianbo Hou