GAO, Min

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GAO, Min
Junior PI
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gaomin atmark

GAO, Min Group
Junior PI
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    GAO, Min

About the Research

Research Theme

Modeling, Understanding, and Prediction of Catalysts for Tailored Chemicals


Computational catalysis, Nano-catalysts, Metal clusters, Organometallic catalysts
Research History

Please see my CV.

Representative Research Achievements

  • Catalytic functionalization of hexagonal boron nitride for oxidation and epoxidation reactions by molecular oxygen. Gao, M.; Wang. B.; Tsuneda, T.; Lyalin, A.; Taketsugu, T.* Phys. Chem. C, 2021, 125, 19219-19228.
  • Electrostatic Stabilization of Single-Atom Catalysts Using Ionic Liquids. Ding, S.; Guo, Y.; Hulsey, M-J.; Zhang, B.; Asakura, H.; Liu, L.; Han, Y.; Gao, M.*; Hasegawa, J.; Qiao, B.; Zhang, T.; Yan, N.*  Chem, 2019, 5, 3207-3219.
    DOI: 10.1016/j.chempr.2019.10.007
  • Selective Catalytic Reduction of NOx with NH3 by Using Novel Catalysts: State of the Art and Future Prospects. Han, L.; Cai, S.; Gao, M.; Hasegawa, J.; Wang, P.; Zhang, J.; Shi, L.; Zhang, D.*  Chem. Rev., 2019. 119, 10916-10976.
    DOI: 10.1021/acs.chemrev.9b00202
  • Lyalin, A.*; Gao, M.; Taketsugu, T.* When inert becomes active: fascinating route for catalyst design. Rec., 2016, 16, 2324-2337.
    DOI: 10.1002/tcr.201600035
  • Application of automated reaction path search methods to a systematic search of single-bond activation pathways catalyzed by small metal clusters: A case study on H-H activation by gold. Gao, M.; Lyalin A. *; Maeda, S.*; Taketsugu, T.*  Chem. Theo. Comp., 2014, 10, 1623-1630.
    DOI: 10.1021/ct500068b



  • Iron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes
    Y. Kato, T. Yoshino, M. Gao, J. Y. Hasegawa, M. Kojima, S. Matsunaga, J. Am. Chem. Soc., 2022, ,
    DOI: 10.1021/jacs.2c06993