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Hydrogenation of bilayer graphene: A small twist makes a big difference

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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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Authors and Affiliations

  1. Department of Mechanical and Biomedical Engineering, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong, 999077, China

    Jichen Dong & Kaili Zhang

  2. Institute of Textiles and Clothing, Hong Kong Polytechnic University, Kowloon, Hong Kong, 999077, China

    Jichen Dong & Feng Ding

Authors
  1. Jichen Dong
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  2. Kaili Zhang
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  3. Feng Ding
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Correspondence to Kaili Zhang or Feng Ding.

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Dong, J., Zhang, K. & Ding, F. Hydrogenation of bilayer graphene: A small twist makes a big difference. Nano Res. 8, 3887–3897 (2015). https://doi.org/10.1007/s12274-015-0888-6

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  • DOI: https://doi.org/10.1007/s12274-015-0888-6

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