期刊
NANO RESEARCH
卷 8, 期 12, 页码 3887-3897出版社
TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-015-0888-6
关键词
bilayer graphene; twist; hydrogenation; phase diagram; electronic structure
类别
资金
- National Natural Science Foundation of China [21273189]
- Hong Kong RCF-GRF [BQ-26K, B-Q35N, B-Q41N]
The effect of twist angle on the hydrogenation of bilayer graphene (BLG) is systematically explored by density functional theory (DFT) calculations. We found that a twist between the upper and lower layers of the graphene BLGs, either big or small, interferes with the formation of inter-layer C-C covalent bonds and this leads to strong resistance to hydrogenation. In addition, the electronic properties of stable, hydrogenated twisted BLG with different twist angles and degrees of H coverage were investigated. This study paves the way to the selective functionalization of BLG for various applications.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据