Theoretical computational catalysis, Machine learning, molecular dynamics simulation, quantum chemistry

2011-2015    ShanDong University, bachelor degreee

2015-2020    Tsinghua University, PhD, supervisor: Jun Li

2018    Pacific Northwest National Laboratory,PNNL, USA, visitor

2020-2022    Tsinghua University, postdoctor

2022-至今    Nankai University,Research Fellow

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 2022,

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.

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.