理论计算催化、机器学习、分子动力学模拟、量子化学、第一性原理计算、电子结构分析。

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2011-2015    山东大学泰山学堂，理学学士

2015-2020    清华大学化学系，理学博士（导师：李隽教授）

2020-2022    清华大学化学系，博士后

2022-至今    beat365中国在线体育特聘研究员

Liu, J.-C.*, Luo, F., Li, J., Electrochemical Potential-Driven Shift of Frontier Orbitals in M-N-C Single-Atom Catalysts Leading to Inverted Adsorption Energies. J. Am. Chem. Soc. 2023, 145(46), 25264-25273.

Fu, X.-P.; Wu C.-P.; Wang W.-W.; Jin Z.; Liu, J-C.*; Ma C.*; Jia, C.-J.*; Boosting reactivity of water-gas shift reaction by synergistic function over CeO2-x/CoO1-x/Co dual interfacial structures. Nat. Commun., 2023, 14(1), 6851.

Zhang, S.; Yin, L.; Wang, S.; Liu, J.-C.*; Zhang, Y.; Wen, Y.; Zhang, Q.; Du, Y.*, Ternary Rare Earth Alloy Pt3-xIrxSc Nanoparticles Modulate Negatively Charged Pt via Charge Transfer to Facilitate pH-universal Hydrogen Evolution. ACS Nano, 2023, 17(22), 23103-23114.

Liang, Z.; Song, L.; Jiang, Y.; Liu, J.-C.*; Zhang, Y.; Zhang, Q.; Yan, C.-H.; Du, Y.*, Penta-Coordinated Y Sites Modulated Single Bi Sites for Promoted Selectivity of Electrochemical CO2 Reduction. Adv. Funct. Mater. 2023, 2311087.

Li, Q.; Sun, C.; Fu, H.; Zhang, S.; Sun, X.; Liu, J.-C.*; Du, Y.*; Luo, F.*, Enhanced Alkaline Hydrogen Evolution Reaction through Lanthanide‐Modified Rhodium Intermetallic Catalysts. Small, 2023, 2307052.

Liu, T.; Zhao, X.; Liu, X.*; Xiao, W.*; Luo, Z.; Wang, W.*; Zhang, Y.; Liu, J.-C.*, Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS4 by DFT and machine learning. Journal of Energy Chemistry 2023, 81, 93-100.

Liu, J.-C.; Xiao, H.; Zhao, X.-K.; Zhang, N.-N.; Liu, Y.; Xing, D.-H.; Yu, X.; Hu, H.-S.; Li, J.*, Computational Prediction of Graphdiyne-Supported Three-Atom Single-Cluster Catalysts. CCS Chemistry 2023, 5 (1), 152-163.

Fu, N; Liang, X.; Wang, X.; Gan, T.; Ye, C.; Li, Z.*, Liu, J.-C.*; Li Y.*, Controllable Conversion of Platinum Nanoparticles to Single Atoms in Pt/CeO2 by Laser Ablation for Efficient CO Oxidation, J. Am. Chem. Soc., 2023,145 (17), 9540-9547.

Wang, X.#; Fu, N.#; Liu, J.-C.#; Yu, K.#; Li, Z.*; Li, Y.*, Atomic replacement of PtNi nanoalloys within Zn-ZIF-8 for the fabrication of multi-site CO2 reduction electrocatalyst. J. Am. Chem. Soc., 2022, 144 (50), 23223-23229.

Liu, J.-C.#; Luo, L.#; Xiao, H.; Zhu, J.; He, Y.*; Li, J.*, Metal-Affinity of Support Dictates Sintering of Gold Catalysts. J. Am. Chem. Soc., 2022, 144, 45, 20601–20609

Yan, H.#; Qin, X.#; Liu, J.-C.#; Cai, L.; Xu, P.; Song, J.-J.; Ma, C.; Wang, W.-W.; Jin, Z.; Jia, C.-J.*, Releasing the limited catalytic activity of CeO2-supported noble metal catalysts via UV-induced deep dechlorination.J. Catal. 2022. 413, 703-712.

Liu, X.; Liu, T.; Xiao, W.; Wang, W.*; Zhang, Y.; Wang, G.; Luo, Z.; Liu, J.-C.*, Strain engineering in single-atom catalysts: GaPS 4 for bifunctional oxygen reduction and evolution. Inorganic Chemistry Frontiers, 2022, 9 (16), 4272-4280.

Deng, Y.#; Guo, Y.#; Jia, Z.#; Liu, J.-C.#; Guo, J.; Cai, X.; Dong, C.; Wang, M.; Li, C.; Diao, J.; Jiang, Z.; Xie, J.; Wang, N.; Xiao, H.; Xu, B.; Zhang, H.; Liu, H.*; Li, J.*; Ma, D.*, Few-Atom Pt Ensembles Enable Efficient Catalytic Cyclohexane Dehydrogenation for Hydrogen Production. J. Am. Chem. Soc., 2022, 144 (8), 3535-3542.

Liu, J.-C.; Xiao, H.*; Li, J.*, Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy.J. Am. Chem. Soc., 2020, 142 (7), 3375-3383.

Duan, H.#; Liu, J.-C.#; Xu, M.#; Zhao, Y.; Ma, X.-L.; Dong, J.; Zheng, X.; Zheng, J.; Allen, C. S.; Danaie, M.; Peng, Y.-K.; Issariyakul, T.; Chen, D.; Kirkland, A. I.; Buffet, J.-C.; Li, J.*; Tsang, S. C. E.*; O’Hare, D.*, Molecular nitrogen promotes catalytic hydrodeoxygenation.Nat. Catal., 2019, 2 (12), 1078-1087.

Lang, R.#; Xi, W.#; Liu, J.-C.#; ....Qiao, B.*, Li, J.*, Zhang, T.*, Non defect-stabilized thermally stable single-atom catalyst. Nat. Commun., 2019, 10 (1), 234.

Liu, J.-C.; Tang, Y.; Wang, Y.-G.; Zhang, T.; Li, J.*, Theoretical understanding of the stability of single-atom catalysts. Natl. Sci. Rev., 2018, 5 (5), 638-641.

Liu, J.-C.; Ma, X.-L.; Li, Y.; Wang, Y.-G.; Xiao, H.; Li, J.*, Heterogeneous Fe3 single-cluster catalyst for ammonia synthesis via an associative mechanism. Nat. Commun., 2018, 9 (1), 1610.

He, Y.#; Liu, J.-C.#; Luo, L.#; Wang, Y.-G.; Zhu, J.; Du, Y.; Li, J.*; Mao, S. X.*; Wang, C.*, Size-dependent dynamic structures of supported gold nanoparticles in CO oxidation reaction condition.Proc. Natl. Acad. Sci. U.S.A.2018, 115 (30), 7700-7705.

Liu, J.-C.; Wang, Y.-G.*; Li, J.*, Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria.J. Am. Chem. Soc., 2017, 139 (17), 6190-6199.

Liu, J.-C.; Tang, Y.; Chang, C.-R.*; Wang, Y.-G.*; Li, J.*, Mechanistic Insights into Propene Epoxidation with O2–H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations.ACS Catal., 2016, 6 (4), 2525-2535.