Insulator band gap in single-side-hydrogenated graphene nanoribbons

被引：0
|
作者：
L. A. Openov
A. I. Podlivaev
机构：
[1] National Research Nuclear University “MEPhI”,
来源：
Semiconductors | 2012年 / 46卷
关键词：
Density Functional Theory; High Occupied Molecular Orbital; Lower Unoccupied Molecular Orbital; High Occupied Molecular Orbital; Lower Unoccupied Molecular Orbital;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The insulator band gap Eg of graphene nanoribbons, one side of which is completely coated with hydrogen, is calculated numerically. It is shown that Eg is ∼1.5 eV narrower than the band gap in graphane nanoribbons with the same width w and steadily increases with decreasing w. As in graphane nanoribbons, the atomic structure of nanoribbon edges has virtually no effect on the value of Eg.
引用
收藏
页码：199 / 202
页数：3
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