Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density

  • Menggai Jiao
    State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
  • Hujun Qian
    State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People’s Republic of China
  • Alister Page
    Discipline of Chemistry, School of Environmental and Life Sciences, The University of Newcastle, Callaghan 2308, Australia
  • Kai Li
    State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
  • Ying Wang
    State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
  • Zhijian Wu
    State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People’s Republic of China
  • Stephan Irle
    Institute of Transformative Bio-Molecules (WPI-ITbM) and Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan
  • Keiji Morokuma
    Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto, 606-8103, Japan

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