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Hydrogenation of bilayer graphene: A small twist makes a big difference
Kaili Zhang1(
), Feng Ding2()
), Feng Ding2()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.
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Pages 3887-3897
Cite this article:
Dong J, Zhang K, Ding F. Hydrogenation of bilayer graphene: A small twist makes a big difference. Nano Research, 2015, 8(12): 3887-3897. https://doi.org/10.1007/s12274-015-0888-6
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