First-principles calculation on electronic properties of B and N co-doping carbon nanotubes

被引：0
|
作者：
施剑皓 [1 ]
赵彤 [1 ]
李学潮 [1 ]
霍萌 [1 ]
万润东 [1 ]
机构：
[1] Institute of Materials Science and Engineering, Kunming University of Science and Technology
来源：
Journal of Semiconductors | 2016年 / 03期
关键词：
single-walled carbon nanotube; curvature effect; co-doping; bandgap; hybrid functional;
D O I：
暂无
中图分类号：
TB383.1 [];
学科分类号：
070205 ; 080501 ; 1406 ;
摘要：
We apply the Heyd-Scuseria-Ernzerhof hybrid functional calculation to study the(2, 3) nanotube codoped with various compositions of nitrogen and boron atoms. We find that the bandgaps and other properties of doped nanotubes oscillate with the doped compositions. Our study should shed light on the understanding of the properties of doped small nanotubes. This might have potential in designing new nano electronic-devices.
引用
收藏
页码：24 / 29
页数：6
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