GAO, Min

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GAO, Min
Junior PI, Associate Professor
Related Website

gaomin atmark

GAO, Min Group
Junior PI
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    GAO, Min
Postdoctoral Fellows

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.

For details on MANABIYA course topics, please follow this link. To learn more about MANABIYA in general, please click here.

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

Related Research



  • Mitigating the Poisoning Effect of Formate During CO2 Hydrogenation to Methanol over Co-Containing Dual-Atom Oxide Catalysts
    N. H. M. Dostagir, C. R. Tomuschat, K. Oshiro, M. Gao, J. Y. Hasegawa, A. Fukuoka, A. Shrotri, Jacs Au, 2024, ,
    DOI: 10.1021/jacsau.3c00789


  • Isolated Pt Atoms Embedded in CuO Nanocatalysts for Selective Oxidation of Ammonia
    Lan, T. W., Gao, M., Hasegawa, J. Y., Shen, Y. J., Qu, W. Q., Hu, Q. M., Deng, J., Cheng, D. H., Zhang, D. S., Acs Catalysis, 2023, 13, 14070-14079
    DOI: 10.1021/acscatal.3c02613
  • Unravelling the Anomalous Coking Resistance over Boron Nitride-Supported Ni Catalysts for Dry Reforming of Methane
    Deng, J., Gao, M., Hasegawa, J. Y., Zhang, X. Y., Wang, A. Y., Chen, A. L., Zhang, D. S., Ccs Chemistry, 2023, 5, 2111-2124
    DOI: 10.31635/ccschem.022.202202342
  • Theoretical Investigation of the Alkali Metal Poisoning Tolerance Mechanism of CeO2-Containing Fe and H2SO4 Additives
    K. Oshiro, M. Gao, L. P. Han, D. S. Zhang, J. Y. Hasegawa, J. Phys. Chem. C, 2023, 127, 38, 18914-18925
    DOI: 10.1021/acs.jpcc.3c03644
  • Crystal-in-Amorphous Vanadate Catalysts for Universal Poison-Resistant Elimination of Nitric Oxide
    J. Deng, S. X. Cai, M. Gao, J. Y. Hasegawa, H. Y. Yao, Y. J. Shen, Z. P. Si, J. Y. Song, D. S. Zhang, Acs Catalysis, 2023, 13, 18, 12363–12373
    DOI: 10.1021/acscatal.3c02571
  • Dynamic Behavior of Intermediate Adsorbates to Control Activity and Product Selectivity in Heterogeneous Catalysis: Methanol Decomposition on Pt/TiO2(110)
    C. Liu, B. Lu, H. Ariga-Miwa, S. Ogura, T. Ozawa, K. Fukutani, M. Gao, J. Y. Hasegawa, K. Shimizu, K. Asakura, S. Takakusagi, J. Am. Chem. Soc., 2023, ,
    DOI: 10.1021/jacs.3c06405


  • 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