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Molecular adsorption induces the transformation of rhombohedral- to Bernal-stacking order in trilayer graphene

Author

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  • Wenjing Zhang

    (Institute of Atomic and Molecular Sciences, Academia Sinica)

  • Jiaxu Yan

    (Centre for Disruptive Photonic Technologies, School of Physics and Mathematic Sciences, Nanyang Technological University)

  • Chang-Hsiao Chen

    (Institute of Atomic and Molecular Sciences, Academia Sinica)

  • Liu Lei

    (State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences)

  • Jer-Lai Kuo

    (Institute of Atomic and Molecular Sciences, Academia Sinica)

  • Zexiang Shen

    (Centre for Disruptive Photonic Technologies, School of Physics and Mathematic Sciences, Nanyang Technological University)

  • Lain-Jong Li

    (Institute of Atomic and Molecular Sciences, Academia Sinica
    National Tsing Hua University)

Abstract

The Bernal (ABA)-stacked graphene trilayer is presumed to be thermodynamically more stable than the rhombohedral (ABC) counterpart. However, the thermal transformation from ABC to ABA domains does not occur at a temperature lower than 1,000 °C. Here we report that ABC-stacked trilayers are transformed to ABA-stacked layers after an organic molecule triazine is evaporated onto graphene surfaces at 150 °C. The transformation is found to always initiate at the ABA–ABC domain boundaries. Simulations based on density function theory considering the van der Waals interaction suggest that after triazine decoration the energy difference between ABA and ABC domains is larger, providing a driving force for stacking transformation. The molecular dynamics simulation results further suggest that the triazine decoration on the wrinkles at the ABC–ABA domain boundary activates the wrinkle sliding toward the ABC domains, leading to the stacking transformation from ABC to ABA.

Suggested Citation

  • Wenjing Zhang & Jiaxu Yan & Chang-Hsiao Chen & Liu Lei & Jer-Lai Kuo & Zexiang Shen & Lain-Jong Li, 2013. "Molecular adsorption induces the transformation of rhombohedral- to Bernal-stacking order in trilayer graphene," Nature Communications, Nature, vol. 4(1), pages 1-8, October.
    • Handle: RePEc:nat:natcom:v:4:y:2013:i:1:d:10.1038_ncomms3074
    DOI: 10.1038/ncomms3074
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