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2025年度
2025年度
53. Oxidation of Methane on Co3O4-CuO/MCM-41 Catalysts and the Exploration of the Role of Oxygen Vacancies via DFT Calculations
53. Oxidation of Methane on Co3O4-CuO/MCM-41 Catalysts and the Exploration of the Role of Oxygen Vacancies via DFT Calculations
N. Khanh, L. Thang, V. Thao, T. Trinh, M. Ratanasak, M. Gao, J. Hasegawa.
J. Taiwan Inst. Chem. Eng. (2025)
DOI: 10.1016/j.jtice.2025.106448
52. Deciphering Adsorbate–Adsorbate Interactions from Scanning Tunneling Microscopy Images: Integrated Topological, Statistical, and First-Principles Analysis of Methoxy Adsorbates on Pt/TiO₂(110)
C. Liu, M. Gao, D. Kido, M. Kimura, K. Asakura, B. Lu, K. Takeyasu, S. Takakusagi*.
J. Phys. Chem. C 39, 17484–17492 (2025) MANABIYA
51. xxx
xxx. W. Kaewraung, M. Gao, W. Lv.
Nat. Cat (2025) under review
50. Light-Driven Radical Copper-Catalyzed Allylic Amination via Allylic Copper Intermediates
H. Luo, Y. Yang, Y. Ma, F. Yu, M. Gao*, S. Xu, H. Ju, Y. Li, K. Wu L. Lin*
Nat. Comm (2025) Accept MANABIYA
49. Copper-Catalyzed Stereoconvergent 1,4-Protosilylation of E/Z Dienes
L. Huang; Y. Wang, M. Gao*, S. Xu, L. Lin*.
Org. Lett. 27, 6185–619 (2025) MANABIYA
2024年度
2024年度
48. Photoinduced Copper-Catalyzed Radical Mizoroki-Heck Reaction with Unactivated Alkyl Iodide
Y. Xu, H. Luo, D. Hu, L. Gao, F. Yu, S. Li, C. Li, Y. Li, M. Gao, L. Lin*.
Org. Lett. 27, 3566–3570 (2025) MANABIYA
DOI: 10.1021/acs.orglett.5c00602
47. Environmental Catalysis for NOx Reduction by Manipulating the Dynamic Coordination Environment of Active Sites
L. Han, X. Wang, F. Wang, Y. Shen, H. Zhang, W. Hu, M. Gao, Y. Wu, M. Xie, J. Chen, D. Zhang*.
Environ. Sci. Technol. 59, 4, 2306–2316 (2025)
46. Enhancing CO2 hydrogenation to light olefins over Fe-Zr catalysts derived from MOF-808: Effect of thermal treatment conditions
H. Pitayachinchot, P. Reubroycharoenb, P. Prasassarakich, T.i Yokoi, Y. Shen, M. Gao, C. Ngamcharussrivichai.
Environ. Technol. Innov. 38, 104162 (2025) MANABIYA
DOI: 10.1016/j.eti.2025.104162
45. Theoretical Understanding and Prediction of Metal-doped CeO2 Catalysts for Ammonia Dissociation
Y. Shen, W. Kaewraung, M. Gao*.
Phys Chem Chem Phys, 27, 5868-5875(2025).
DOI: 10.1039/D5CP00430F
44. Polyoxometalates-Mediated Selectivity in Pt Single-Atoms on Ceria for Environmental Catalysis
T. Lan, R. Yalavarthi, Y. Shen, M. Gao, F. Wang, Q. Hu, P. Hu, M. Beladi-Mousavi, X. Chen, X. Hu, H. Yang, E. Cortés*, D. Zhang*.
Angew. Chem. Int. Ed, e202415786 (2024).
43. Photoinduced Enantioselective Triplet Radical Reaction on Metal: Copper-Catalyzed Conjugate Addition of Acylsilanes to α,β-Unsaturated Ketones and Aldehydes (9/15)
Y. Masuda, Y. Ueda, A. Sueki, J. Shimosato, K. Nishimura, M. Gao*, J. Hasegawa, M. Sawamura*.
Chem. Eur. J. 30, e202402564 (2024) Selected as Front Cover
2023年度
2023年度
42. Mitigating the poisoning effect of formate during CO2 hydrogenation to methanol over Co containing dual-atom oxide catalysts
N. Dostagir, C.R. Tomuscha, K. Oshiro, M. Gao, J. Hasegawa, A. Fukuoka*, A. Shrotri*.
JACS Au, 4, 1048-1058 (2024)
B1. 触媒総合事典
xxxx（高敏 分担執筆）, 朝倉書店, 2023.
41. Isolated Pt Atoms Embedded in CuO Nanocatalysts for Selective Oxidation of Ammonia
T. Lan‡, M. Gao‡, J. Hasegawa, Y. Shen, W. Qu, Q. Hu, J. Deng, D. Cheng, D. Zhang*.
ACS Catal. 13, 14070-14079 (2023)
40. Crystal-in-amorphous Vanadate Catalysts for Universal Poison-Resistant Elimination of Nitric Oxide
J. Deng‡, S. Cai‡, M. Gao‡, J. Hasegawa, H. Yao, Y. Shen, Z. Si, J. Song, D. Zhang*.
ACS Catal. 13, 12363-12373 (2023)
39. 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. Miwa, S. Ogura, T. Ozawa, K. Fukutani, M. Gao, J. Hasegawa, K. Shimizu, K. Asakura, S. Takakusagi*.
J. Am. Chem. Soc. 145, 19953-19960 (2023)
DOI: 10.1021/jacs.3c06405
38. Theoretical investigation of the alkali metal poisoning tolerance mechanism of CeO2 containing Fe and H2SO4 additives
K. Oshiro, M. Gao*, L. Han, D. Zhang, J. Hasegawa*.
Published as part of The Journal of Physical Chemistry virtual special issue “Early-Career and Emerging Researchers in Physical Chemistry Volume 2”.
J. Phys. Chem. C 127, 18914-18925 (2023)
37. Unravelling the anomalous coking-resistance over boron nitride supported Ni catalysts for dry reforming of methane
J. Deng†, M. Gao†, J. Hasegawa, X. Zhang, A. Wang, A. Chen, and D. Zhang* †Co-first author.
CCS Chem. 5, 2111–2124. (2023)
2022年度
2022年度
36. Iron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes (9/27)
Y. Kato, T. Yoshino, M. Gao, J. Hasegawa, M. Kojima*, S. Matsunaga*.
J. Am. Chem. Soc. 144, 40, 18450-18458 (2022)
DOI: 10.1021/jacs.2c06993
35. Unraveling the promotional effects of NiCo catalysts over defective boron nitride nanosheets in dry reforming of methane (9/15)
S. Kuboon, J. Deng, M. Gao, K. Faungnawakij, J. Hasegawa, X. Zhang, L. Shi, and D. Zhang*.
Catal. Today, 402, 283-291 (2022)
DOI: 10.1016/j.cattod.2022.04.031
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34. Identifying substrate-dependent chemical bonding nature at molecule/metal interfaces using vibrational sum frequency generation spectroscopy and theoretical calculations (7/1)
B. Wang, M. Ito, M. Gao, H. Nogochi, K. Uosaki*, T. Taketsugu*.
J. Phys. Chem. C 126, 27, 11298-11309 (2022)
33. Doubly linked chiral phenanthrene oligomers for homogeneously π-extended helicenes with large effective conjugation length (4/4)
Y. Nakakuki, T. Hirose, H. Sotome, M. Gao, D. Shimizu, R. Li, J. Hasegawa, H. Miyasaka, K. Matsuda.
Nat. Commun. 13, 1475 (10 pages )(2022)
DOI: 10.1038/s41467-022-29108-8
32. Photoinduced Copper-Catalyzed Asymmetric Acylation of Allylic Phosphates with Acylsilanes (1/6)
Y. Ueda, Y. Masuda, T. Iwai, K. Imaeda, H. Takeuchi, K.i Ueno, M. Gao, J. Hasegawa, M. Sawamura.
J. Am. Chem. Soc. 144, 5, 2218-2224 (2022)
DOI: 10.1021/jacs.1c11526
2021年度
2021年度
31. Catalytic functionalization of hexagonal boron nitride for oxidation and epoxidation reactions by molecular oxygen
M. Gao*, B. Wang, T. Tsuneda, A. Lyalin, T. Taketsugu*.
J. Phys. Chem. C, 125, 19219-19228 (2021)
30. Selective Hydrogenation of CO2 over Interfacial Sites Co Single Atoms in ZrO2 having inherent oxygen vacancies
N. Dostagir, R. Rattanawan, M. Gao, J. Hasegawa, K. Asakura, A. Fukuoka*, A. Shrotri*.
ACS Catal. 11, 9450-9461. (2021)
29. Ionic Liquid-stabilized Single-atom Rh Catalyst against Leaching
S. Ding*, M. Huelsey, H. An, Q.He, H. Asakura*, M. Gao*, J. Hasegawa, T. Tanaka, N. Yan*.
CCS Chem. 3, 1814-1822. (2021)
DOI: 10.31635/ccschem.021.202101063
28. Catalytic Activity of Gold Clusters Supported on h-BN/Au(111) Surface for Hydrogen Evolution Reaction
M. Gao*, M. Nakahara, A. Lyalin, T. Taketsugu.
J. Phys. Chem. C, 125, 1334-1344, (2021)
2020年度
2020年度
27. Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons
Y. Nishikawa, Y. Ohtsuka, H. Ogihara, R. Rattanawan, M. Gao, A. Nakayama, J. Hasegawa, I. Yamanaka.
ACS Omega, 5, 28158-28167, (2020)
26. Zeolite-supported ultra-small nickel as catalyst for selective oxidation of methane to syngas
S. Yasuda, R. Osuga, Y. Kunitake, K. Kato, A. Fukuoka, H. Kobayashi, M. Gao, J. Hasegawa, R. Manabe, H. Shima, S. Tsutsuminai, T. Yokoi.
Commun. Chem., 3, 129, (2020)
DOI: 10.1038/s42004-020-00375-0
25. Delocalization Effect Promoted the Indoor Air Purification via Unlocking Directly Ring-open Pathway of Toluene
W. Qu, P. Wang, M. Gao, J. Hasegawa, Z. Shen, Q. Wang, R. Li, D. Zhang.
Environ. Sci. Technol., 54, 9693-9701, (2020)
24. Quantum chemical study of substituent effects on CN bond in aryl isocyanide molecules adsorbed on the Pt surface
B. Wang, M. Gao, K. Uosaki, T. Taketsugu.
Phys. Chem. Chem. Phys., 22, 12200-12208, (2020)
DOI: 10.1039/D0CP00760A
23. Effect of O2 adsorption on the termination of Li–O2 batteries discharge
J. Li$, M. Gao$, S. Tong, C. Luo, H. Zhu, T. Taketsugu, K. Uosaki, M. Wu.
Electrochim. Acta, 340, 135977 (2020)
2019年度
2019年度
22. l-Cysteine-Modified Acacia Gum as a Multifunctional Binder for Lithium–Sulfur Batteries
Q. Qi, Y. Deng, S. Gu, M. Gao*, J. Hasegawa, G. Zhou, X. Lv, W. Lv, Q-H. Yang.
ACS Appl. Mater. Interfaces, 11, 47956–47962 (2019)
21. Electrostatic Stabilization of Single-Atom Catalysts Using Ionic Liquids
S. Ding, Y. Guo, M-J. Hulsey, B. Zhang, H. Asakura, L. Liu, Y. Han, M. Gao*, J. Hasegawa, B. Qiao, T. Zhang, N. Yan*.
Chem, 5, 3207–3219 (2019)
DOI: 10.1016/j.chempr.2019.10.007
20. Selective Catalytic Reduction of NOx with NH3 by Using Novel Catalysts: State of the Art and Future Prospects
L. Han, S. Cai, M. Gao, J. Hasegawa, P. Wang, J. Zhang, L. Shi, D. Zhang.
Chem. Rev., 119, 10916-10976 (2019)
DOI: 10.1021/acs.chemrev.9b00202
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., 475, 110459 (2019)
DOI: 10.1016/j.mcat.2019.110459
18. 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., 53, 6462-6473 (2019)
17. 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, 138, 226-237 (2019)
DOI: 10.1016/j.mineng.2019.05.005
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., 53, 5946-5956 (2019)
15. CO2 Adsorption on Ti3O6–: A Novel Carbonate Binding Motif
S. Debnath, X. Song, M. Fagiani, M. Weichman, M. Gao, S. Maeda, T. Taketsugu, W. Schollkopf, A. Lyalin, D. Neumark, and K. Asmis.
J. Phys. Chem. C, 123, 8439-8446 (2019)
14. A Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13
T. Iwasa, T. Sato, M. Takagi, M. Gao, A. Lyalin, M. Kobayashi, K. Shimizu, S. Maeda, and T. Taketsugu.
J. Phys. Chem. A, 123, 210-217 (2019)
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2018年度
2018年度
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
Appl. Catal. B-environ, 238, 51-60 (2018)
2017年度
2017年度
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).
DOI: https://doi.org/10.1039/C7CP03798H
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).
DOI: https://doi.org/10.1021/acs.jpcc.6b09919
2016年度
2016年度
10. When inert becomes active: fascinating route for catalyst design
A. Lyalin, M. Gao, T. Taketsugu.
Chem. Rec., 16, 2324-2337 (2016)
DOI: https://doi.org/10.1002/tcr.201600035
9. Long Range Functionalization of h-BN Monolayer by Carbon Doping
M. Gao, M. Adachi, A. Lyalin, and T. Taketsugu.
J. Phys. Chem. C, 120, 15993−16001 (2016)
2015年度
2015年度
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).
2014年度
2014年度
M. Gao, A. Lyalin, S. Maeda, and T. Taketsugu.
J. Chem. Theo. Comp., 10, 1623-1630 (2014).
2013年度
2013年度
6. CO oxidation on h-BN supported Au atom
M. Gao, A. Lyalin, and T. Taketsugu.
J. Chem. Phys., 138, 034701 (2013).
DOI: 10.1063/1.4774216
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).
DOI: https://doi.org/10.1002/qua.24066
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).
DOI: 10.1088/1742-6596/438/1/012003
2012年度
2012年度
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).
DOI: https://doi.org/10.1021/jp300684v
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).
2011年度
2011年度
M. Gao, A. Lyalin, and T. Taketsugu.
Catalysts (special issue on Gold Catalysts), 1, 18-39 (2011).
DOI: 10.3390/catal1010018
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