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- Ding, Feng
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Hydrogenation of bilayer graphene: A small twist makes a big difference
- Author(s)
- Dong, Jichen, Zhang, Kaili, Ding, Feng
- Issued Date
- 2015-12
- Citation
- NANO RESEARCH, v.8, no.12, pp.3887 - 3897
- 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.
- Publisher
- TSINGHUA UNIV PRESS
- ISSN
- 1998-0124
- Keyword (Author)
- bilayer graphene, twist, hydrogenation, phase diagram, electronic structure
- Keyword
- REVERSIBLE HYDROGENATION, SUPERLATTICES, SIGNATURE, DIAMOND, BANDGAP, METALS, CARBON, LAYERS
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