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标题:Quantum chemical study of Triton X-100 modified graphene surface
时间:2020-10-18 17:15:37
DOI:10.1016/j.electacta.2017.07.109
大小:3715 kb
页数:21 PAGES
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目录:
  • Introduction
  • Methodology
    • Computational details
  • Results and discussion
    • Quantum modeling of TX-100 adsorbed graphene surfaces
    • Fukui analysis of graphene and TX-100
    • Electron transfer sites of TX-100 adsorbed graphene surfaces
      • FMO of of TX-100 adsorbed graphene surfaces
      • Analytical Fukui functions of of TX-100 adsorbed graphene surfaces
  • Conclusion
  • Acknowledgment

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