研究紹介
研究テーマ
Modeling, Understanding, and Prediction of Catalysts for Tailored Chemicals
キーワード
Computational catalysis, Nano-catalysts, Metal clusters, Organometallic catalysts
経歴
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代表的な研究成果
- 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. DOI: 10.1021/acs.jpcc.1c04661
- 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
関連する研究記事
業績一覧
2024年
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Mitigating the Poisoning Effect of Formate During CO2 Hydrogenation to Methanol over Co-Containing Dual-Atom Oxide Catalysts
, C. R. Tomuschat, K. Oshiro, M. Gao, J. Y. Hasegawa, A. Fukuoka, A. Shrotri, Jacs Au, 2024, ,
DOI: 10.1021/jacsau.3c00789
2023年
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Isolated Pt Atoms Embedded in CuO Nanocatalysts for Selective Oxidation of Ammonia
, 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
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Unravelling the Anomalous Coking Resistance over Boron Nitride-Supported Ni Catalysts for Dry Reforming of Methane
, 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
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Theoretical Investigation of the Alkali Metal Poisoning Tolerance Mechanism of CeO2-Containing Fe and H2SO4 Additives
, 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
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Crystal-in-Amorphous Vanadate Catalysts for Universal Poison-Resistant Elimination of Nitric Oxide
, 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
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Dynamic Behavior of Intermediate Adsorbates to Control Activity and Product Selectivity in Heterogeneous Catalysis: Methanol Decomposition on Pt/TiO2(110)
, 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
2022年
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Iron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes
, T. Yoshino, M. Gao, J. Y. Hasegawa, M. Kojima, S. Matsunaga, J. Am. Chem. Soc., 2022, ,
DOI: 10.1021/jacs.2c06993