@article{Dong2015, 
author = {Jichen Dong and Kaili Zhang and Feng Ding},
title = {Hydrogenation of bilayer graphene: A small twist makes a big difference},
year = {2015},
journal = {Nano Research},
volume = {8},
number = {12},
pages = {3887-3897},
keywords = {bilayer graphene, twist, hydrogenation, phase diagram, electronic structure},
url = {https://www.sciopen.com/article/10.1007/s12274-015-0888-6},
doi = {10.1007/s12274-015-0888-6},
abstract = {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.}
}