Dr. Min Gao



創成科学研究棟5F 5-217-C

EMAIL: gaomin*cat.hokudai.ac.jp 

好きな食べ物 : 和食
好きな物 : 金・白金・イリジウム・銀
研究内容 : 理論計算と触媒設計
好きな言葉 Try Evergything 
Research Gate → “高 敏(Gao Min)”


2009年10月 北海道大学 大学院理学院化学専攻 博士後期課程
2012年9月 博士(理学)取得(指導教官:武次 徹也 教授)
2012年10月 北海道大学 理学研究院化学部門 ACT-C(武次 徹也 教授, 前田 理 准教授) 博士研究員
2016年1月 ~


北海道大学大学院 理学研究院 助教
2018年7月 北海道大学 触媒科学研究所触媒理論研究部門 助教
2016年2月 ~ (兼任) 京都大学触媒・電池元素戦略研究拠点ユニット 拠点助教


5. 2016年9月 第10回 分子科学討論会
4. 2015年6月 The 15th International Congress of Quantum Chemistry
The best poster prize
3. 2013年8月 The 16th International Symposium on Relations between Homogeneous
and Heterogeneous Catalysis, the best poster prize
2. 2011年9月 The Seventh Congress of the International Society for Theoretical
Chemical Physics (ISTCP-VII): Fujitsu Poster Prizes
1. 2009年10月
Japanese Government (Monbukagakusho) Scholarship


3. 2018年3月6日 Theoretical study of the geometry and size effect on the catalytic activity of gold clusters
International Congress on Pure & Applied Chemistry (ICPAC) 2018 Sokhalay Angkor Resort & Spa、Siem Reap、Cambodia
2. 2017年8月4日 Reactivity of Gold Clusters in the Regime of Structural Fluxionality
21st International Annual Symposium on Computational Science and Engineering
Thailand Science Park, Pathum Thani, Thailand
1. 2016年11月 A theoretical design of catalyst based on h-BN surface
Thai-Japan Symposium in Chemistry



19. Adsorption Mediated Tandem Acid Catalyzed Cellulose Hydrolysis by Ortho-substituted Benzoic Acids
D. P. De Chavez, M. Gao, H. Kobayashi, A. Fukuoka, J. Hasegawa,
Mol. Catal., in press (2019)
18. Suppression of Pyrite Oxidation by Ferric-catecholate Complexes: An Electrochemical Study
X. Li, M. Gao, N. Hiroyoshi, C. B. Tabelin, T. Taketsugu, and M. Ito

Minerals Engineering, in press (2019)

17.  SO2-tolerant Selective Catalytic Reduction of NOx over Meso-TiO2@Fe2O3@Al2O3 Metal-based Monolith Catalysts
L. Han, M. Gao, J. Hasegawa, S. Li, Y. Shen, H. Li, L. Shi, and D. Zhang,
Environ. Sci. Technol., in press (2019)
DOI: 10.1021/acs.est.9b00435
16. Fe2O3-CeO2@Al2O3 Nanoarrays on Al-Mesh as SO2-Tolerant Monolith Catalysts for NOx Reduction by NH3
L. Han, M. Gao, C. Feng, L. Shi, and D. Zhang,
Environ. Sci. Technol., in press (2019)
DOI: 10.1021/acs.est.9b01217
15. CO2 Adsorption on Ti3O6ˉ: A Novel Carbonate Binding Motif
Sreekanta Debnath, Xiaowei Song, Matias Fagiani, Marissa Weichman, Min Gao, Satoshi Maeda, Tetsuya Taketsugu, Wieland Schöllkopf, Andrey Lyalin, Daniel Neumark, and Knut Asmis
J. Phys. Chem. C, in press. DOI: 10.1021/acs.jpcc.8b10724
14. A Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13
Takeshi Iwasa, Takaaki Sato, Makito Takagi, Min Gao, Andrey Lyalin, Masato Kobayashi, Ken-ichi Shimizu, Satoshi Maeda, and Tetsuya Taketsugu
J. Phys. Chem. A, in press.


13. Defect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts
Y. Cao, P. Maitarad,  M. Gao*, T. Taketsugu, H. Li, T. Yan, L. Shi, and D.Zhang* App. Catal. B: Environ., in press.


12. Excess Charge Driven Dissociative Hydrogen Adsorption on Ti2O4
X. Song, M. R. Fagiani, S. Debnath, M. Gao, S. Maeda, T. Taketsugu, S. Gewinner, W. Schollkopf, K. R. Asmis, and A. Lyalin Phys. Chem. Chem. Phys., 19, 23154-23161 (2017).
11. Isomerization in Gold Clusters upon O2 Adsorption
M. Gao, D. Horita, Y. Ono, A. Lyalin, S. Maeda, and T. Taketsugu
J. Phys. Chem. C (Mark Gordon Festschrift issue), 121, 2661-2668 (2017).


10. When inert becomes active: fascinating route for catalyst design
A. Lyalin, M. Gao, T. Taketsugu
Chem. Rec., in press.
9. Long Range Functionalization of h-BN Monolayer by Carbon Doping
M. Gao, M. Adachi, A. Lyalin, and T. Taketsugu
J. Phys. Chem. C (Kohei Uosaki Festschrift issue), in press.


8. Reactivity of Gold Clusters in the Regime of Structural Fluxionality
M. Gao, A. Lyalin, M. Takagi, S. Maeda, and T. Taketsugu
J. Phys. Chem. C (Current Trends in Clusters and Nanoparticles Conference Special Issue), 119, 11120?11130 (2015).


7. 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
M. Gao, A. Lyalin, S. Maeda, and T. Taketsugu
J. Chem. Theo. Comp., 10, 1623-1630 (2014).


6. CO oxidation on h-BN supported Au atom
M. Gao, A. Lyalin, and T. Taketsugu
J. Chem. Phys., 138, 034701 (2013).
5. Oxygen Activation and Dissociation on h-BN Supported Au Atoms
M. Gao, A. Lyalin, and T. Taketsugu
Int. J. Quantum Chem., 113, 443-452 (2013).
4. The h-BN surface effect on CO oxidation reaction catalyzed by suppoeoted gold atom.
M. Gao, A. Lyalin, and T. Taketsugu
J. Phys. Conference Series. 438, 012003 (2013).


3. Catalytic Activity of Au and Au2 on h-BN Surface: Adsorption and Activation of O2
M. Gao, A. Lyalin, and T. Taketsugu
J. Phys. Chem. C, 116, 9054-9062 (2012).
2. DFT studies on the mechanisms for the diboration of acyclic α,β-unstaturated carbonyl compounds catalyzed by platinum complex
B. W. Liu, M. Gao, L. Dang, H. T. Zhao, Z. Y. Lin, T. B. Marder
Organometallics, 31, 3410-3425 (2012).


1. Role of the support effects on the catalytic activity of gold clusters: A density functional theory study
M. Gao, A. Lyalin, and T. Taketsugu
Catalysts (special issue on Gold Catalysts), 1, 18-39 (2011).

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