论文著作：
2026年：
[1] Meng, X.#; Zhang, L.-Y.#; Xu, Y.-S.#; Xu, K.; Wang, W.-W.; Ye, H.-X.; Liu, J.-C.*; Yang, F.*; Jia, C.-J.*; Yan, C.-H., Atomic-scale revelation of in situ reverse regulation from particles to clusters in the Ni/La-CeOx catalyst. Nat. Commun., 2026, 10.1038/s41467-026-73757-y.
[2] Zhong, Z.; Fu, H.; Wang, C.-H.; Gu, L.; Liu, J.-C.; Qiu, D.; Wang, S.; Xi, W.; Gu, C.; Du, Y.*, Phase Engineering on Metastable Lanthanoid Sulfides for Polymorphic Nanocrystal Library. Angew. Chem. Int. Ed., 2026, 65, 15, e9692519.
[3] Hou, P.; Luo, J.; Liu, J.-C.*, Accelerating Catalytic Reaction Network Exploration via Local Fine-tuning with Universal Machine Learning Interatomic Potentials. ACS Catal., 2026, 16, 6443-6452.
2025年：
[1] Wu, Z.#; Zhou, L.#; Hou, P.; Liu, Y.; Wang, R.; Guo, T.; Liu, J.-C.*, A Machine Learning Interatomic Potential Data Set and Model for Catalysis with Local Fine-Tuning to Chemical Accuracy. JACS Au, 2025, 5, 6151-6161.
[2] Yin, L.#; Liu, Y.#; Zhang, S.; Liu, J.-C.*; Jiang, Y.; Du, Y.*, Electron Donor Gd-Evoked Pd-OH* Interaction Modulation via Alloying for Enhanced Electrocatalytic Oxygen Reduction. Adv. Funct. Mater., 2026, 36, 18, e14759.
[3] Yin, L.; Liu, Y.; Zhang, S.; Huang, Y.; Wang, Q.*; Liu, J.-C.*; Gu, C.; Du, Y.*, Hollow carbon nanoreactors integrating NiFe-LDH nanodots with adjacent La single atoms for efficient oxygen electrocatalytic reactions. Mater. Horiz., 2025, 12, 5400-5409.
[4] Sun, C.; Liu, Y.; Liang, Z.; Li, Q.*; Du, Y.*; Liu, J.-C.*; Cheng, Y.*; Luo, F.*, Activating PtRu with rare earth alloying for efficient electrocatalytic methanol oxidation reaction. Catal. Sci. Technol., 2025, 15, 2473-2481.
[5] Hou, P.; Yu, Q.; Luo, F.; Liu, J.-C.*, Reactant-Induced Dynamic Active Sites on Cu Catalysts during the Water-Gas Shift Reaction. ACS Catal., 2025, 15, 352-360.
[6] Li, Q.; Liu, S.; Liu, J.-C.*; Li, Z.*; Li, Y.*, Recycling Sulfur-Poisoned Pd Catalysts via Thermal Atomization for Semi-Hydrogenation of Acetylene. J. Am. Chem. Soc., 2025, 147, 5615-5623.
2024年：
[1] Zhou, L.#; Fu, X.-P.#; Wang, R.#; Wang, C.-X.; Luo, F.; Yan, H.; He, Y.*; Jia, C.-J.*; Li, J.*; Liu, J.-C.*, Dynamic phase transitions dictate the size effect and activity of supported gold catalysts. Sci. Adv., 2024, 10, eadr4145.
[2] Xu, K.; Zhang, Y.-Y.; Wang, W.-W.; Mi, P.; Liu, J.-C.*; Ma, C.; Zhang, Y.-W.; Jia, C.-J.*; Ma, D.*; Yang, C.-H., Single-Atom Barium Promoter Enormously Enhanced Non-Noble Metal Catalyst for Ammonia Decomposition. Angew. Chem. Int. Ed., 2025, 64, 4, e202416195.
[3] Wang, X.; Guo, T.; Shan, Y.; Zhang, O.; Dong, H.*; Liu, J.-C.*; Luo, F.*, An aluminum-based hybrid film photoresist for advanced lithography by molecular layer deposition. J. Mater. Chem. C, 2024, 12, 17544-17553.
[4] Liu, H.-X.; Wang, W.-W.*; Fu, X.-P.; Liu, J.-C.*; Jia, C.-J.*, Direct cleavage of C=O double bond in CO2 by the subnano MoOx surface on Mo2N. Nat. Commun., 2024, 15, 9126.
[5] Li, Q.; Sun, C.; Sun, X.; Yin, Z.; Du, Y.*; Liu, J.-C.*; Luo, F.*, Synthesis of palladium-rare earth alloy as a high-performance bifunctional catalyst for direct ethanol fuel cells. Nano Research, 2024, 17, 11, 9525-9531.
[6] Yan, H.; Lei, H.; Qin, X.; Liu, J.-C.*; Cai, L.; Hu, S.; Xiao, Z.; Peng, F.; Wang, W.-W.; Jin, Z.; Yi, X.; Zheng, A.; Ma, C.; Jia, C.-J.*; Zeng, J.*, Facet-dependent diversity of Pt-O coordination for Pt1/CeO2 catalysts achieved by oriented atomic deposition. Angew. Chem. Int. Ed., 2024, 63, 50, e202411264.
[7] Jiang, Y.; Liang, Z.; Liu, J.-C.*; Fu, H.; Yan, C.-H.; Du, Y.*, Stimulating Electron Delocalization of Lanthanide Elements through High-Entropy Confinement to Promote Electrocatalytic Water Splitting. ACS Nano, 2024, 18, 19137-19149.
[8] Li, Z.-X.; Fu, X.-P.; Ma, C.; Wang, W.-W.*; Liu, J.-C.*; Jia, C.-J.*, Identifying the key structural features of Ni-based catalysts for the CO2 methanation reaction. J. Catal., 2024, 436, 115585.
[9] Xu, K.#; Liu, J.-C.#; Wang, W.-W.; Zhou, L.-L.; Ma, C.; Guan, X.; Wang, F. R.*; Li, J.*; Jia, C.-J.*; Yan, C.-H., Catalytic properties of trivalent rare-earth oxides with intrinsic surface oxygen vacancy. Nat. Commun., 2024, 15, 5751.
[10] Li, Q.; Zhang, B.; Sun, C.; Sun, X.; Li, Z.; Du, Y.*; Liu, J.-C.*; Luo, F.*, Enhanced Alkaline Hydrogen Evolution Reaction via Electronic Structure Regulation: Activating PtRh with Rare Earth Tm Alloying. Small, 2024, 20, 32, 2400662.
[11] 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., 2024, 34, 2311087.
2023年：
[1] 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, 25264-25273.
[2] 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, 6851.
[3] 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, 23103-23114.
[4] 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, 20, 12, 2307052.
[5] 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.
[6] 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, 152-163.
[7] 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, 9540-9547.
2022年：
[1] 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, 23223-23229.
[2] 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, 20601-20609.
[3] 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.
[4] Liu, X.; Liu, T.; Xiao, W.; Wang, W.*; Zhang, Y.; Wang, G.; Luo, Z.; Liu, J.-C.*, Strain engineering in single-atom catalysts: GaPS4 for bifunctional oxygen reduction and evolution. Inorg. Chem. Front., 2022, 9, 4272-4280.
[5] 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, 3535-3542.
2016-2021年：
[1] Wang, V.*; Xu, N.; Liu, J.-C.; Tang, G.; Geng, W.-T., VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code. Comput. Phys. Commun., 2021, 267, 108033.
[2] 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, 3375-3383.
[3] 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, 1078-1087.
[4] 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, 234.
[5] 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, 638-641.
[6] 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, 1610.
[7] 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, 7700-7705.
[8] 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, 6190-6199.
[9] Liu, J.-C.; Tang, Y.; Chang, C.-R.*; Wang, Y.-G.*; Li, J.*, Mechanistic Insights into Propene Epoxidation with O2-H2O Mixture on Au7/alpha-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations. ACS Catal., 2016, 6, 2525-2535.
刘锦程
天津市
研究领域：
精细化工
研究方向：
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。
方向一：神经网络势函数的模型开发与动态催化研究。
方向二：电化学界面的恒电势计算方法与电子结构分析。
所在单位：
南开大学
