xxx, M. Gao, xxx, J. Hasegawa
J. Taiwan Inst. Chem. Eng. (2025) in press
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)
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)
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)
34. 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)
35. 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)
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)
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)
DOI：10.1021/acs.jpcc.1c04661
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)
DOI: 10.1021/acscatal.1c02041
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. M. Gao*, M. Nakahara, A. Lyalin, T. Taketsugu,
Catalytic Activity of Gold Clusters Supported on h-BN/Au(111) Surface for Hydrogen Evolution Reaction
J. Phys. Chem. C, 125, 1334-1344, (2021)
DOI: 10.1021/acs.jpcc.0c08826
27. Y. Nishikawa, Y. Ohtsuka, H. Ogihara, R. Rattanawan, M. Gao, A. Nakayama, J. Hasegawa, I. Yamanaka,
Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons
ACS Omega, 5, 28158-28167, (2020)
DOI: 10.1021/acsomega.0c03827
26. S. Yasuda, R. Osuga, Y. Kunitake, K. Kato, A. Fukuoka, H. Kobayashi, M. Gao, J. Hasegawa, R. Manabe, H. Shima, S. Tsutsuminai, T. Yokoi,
Zeolite-supported ultra-small nickel as catalyst for selective oxidation of methane to syngas
Commun. Chem., 3, 129, (2020)
DOI: 10.1038/s42004-020-00375-0
25. W. Qu, P. Wang, M. Gao, J. Hasegawa, Z. Shen, Q. Wang, R. Li, D. Zhang,
Delocalization Effect Promoted the Indoor Air Purification via Unlocking Directly Ring-open Pathway of Toluene
Environ. Sci. Technol., 54, 9693-9701, (2020)
DOI: 10.1021/acs.est.0c02906
24. B. Wang, M. Gao, K. Uosaki, T. Taketsugu,
Quantum chemical study of substituent effects on CN bond in aryl isocyanide molecules adsorbed on the Pt surface
Phys. Chem. Chem. Phys., 22, 12200-12208, (2020)
DOI: 10.1039/D0CP00760A
23. J. Li$, M. Gao$, S. Tong, C. Luo, H. Zhu, T. Taketsugu, K. Uosaki, M. Wu
Effect of O2 adsorption on the termination of Li–O2 batteries discharge
Electrochim. Acta, 340, 135977 (2020)
DOI: 10.1016/j.electacta.2020.135977
22. Q. Qi, Y. Deng, S. Gu, M. Gao*, J. Hasegawa, G. Zhou, X. Lv, W. Lv, Q-H. Yang,
l-Cysteine-Modified Acacia Gum as a Multifunctional Binder for Lithium–Sulfur Batteries
ACS Appl. Mater. Interfaces, 11, 47956–47962 (2019)
DOI:10.1021/acsami.9b17458
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)
DOI: 10.1021/acs.est.9b00435
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)
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
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)
DOI: 10.1021/acs.jpca.8b08868
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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)
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., 16, 2324-2337 (2016)
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)
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).