2020-至今


2020    2021   2022   2023  2024 ……


2024

70. X. FanC. ZhangZ. ChenT. LiuG. YangS. HouC. ZhuJ. LiuJ. XuF. QiaoY. Cui

Tungsten–Iron–Ruthenium Ternary Alloy Immobilized into the Inner Nickel Foam for High-Current-Density Water Oxidation

Small. 202420, 2310829.




69. Y. X. Pu, J. X. Liu*

Theoretical Insights into the Oxygen Reduction Reaction on Au-Based Single-Atom Alloy Cluster Catalysts.

Chinese J. Chem. Phys. 2024 , 37 (5), 573-581.



68. S. Li, L. Feng, H. W. Wang*, Y. Lin, Z. H. Sun, L. L. Xu, Y. X. Xu, X. Y. Liu, W. X. Li, S. Q. Wei, J. X. Liu*, J. L. Lu*

Atomically‒intimate assembly of dual metal‒oxide interfaces for tandem conversion of syngas to ethanol

Nat. Nanotechnol. 2024 



67. Y. X. Pu, J. L. Chen, L. Feng, J. Z. Zhu, X. C. Jiang, W. X. Li, J. X. Liu*

The Nature of the Active Center for the Oxygen Reduction Reaction on Ag-Based Single-Atom Alloy Cluster

JACS Au.20244, 2886−2895



66. Chen-Yue Yuan, Li Feng, Xue-Tao Qin, Jin-Xun Liu*, Xin Li, Xiao-Chen Sun, Xiao-Xia Chang, Bing-Jun Xu, Wei-Xue Li, Ding Ma, Hao Dong, Yawen Zhang*.

Metal(II)-Sulfate Site Catalysts toward Low Overpotential Carbon Dioxide Electroreduction to Fuel Chemicals.

Angew. Chem. Int. Ed. 2024, e202405255. 



65. Song, C.; Wang, Z.; Zhao, J.; Qin, X.; Peng, M.; Gao, Z.; Xu, M.; Xu, Y.; Yan, J.; Bi, Y.; Wang, M.; Chen, L.; Yin, Z.; Liu, X.*; Liu, J.-X.*; Ma, D*. 

Photothermal conversion of CO2 into lower olefins at the interface of the K-promoted Ru/Fe3O4 catalyst. 

Chem Catalysis. 2024, 4 (4), 100960.



64. Shu, W.; Li, J.; Liu, J.-X.; Zhu, C.; Wang, T.; Feng, L.; Ouyang, R.; Li, W.-X.*

Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-Principles Calculations. 

J. Am. Chem. Soc. 2024, 146 (12), 8737-8745. 



63.  Chen, C.; Chen, J.-L.; Feng, L.; Hu, J.; Chai, X.; Liu, J.-X.*; Li, W.-X.* 

Reactant-Induced Dynamic Stabilization of Highly Dispersed Pt Catalysts on Ceria Dictating the Reactivity of CO Oxidation. 

ACS Catal. 2024, 14, 3504-3513.



62. Qin, X.; Xu, M.; Guan, J.; Feng, L.; Xu, Y.; Zheng, L.; Wang, M.; Zhao, J.-W.; Chen, J.-L.; Zhang, J.; Xie, J.; Yu, Z.; Zhang, R.; Li, X.; Liu, X.*; Liu, J.-X.*Zheng, J.*; Ma, D.* 

Direct conversion of CO and H2O to hydrocarbons at atmospheric pressure using a TiO2−x/Ni photothermal catalyst. 

Nature Energy. 2024, 9 (2), 154-162. 




61. Zhao, J.-W.; Wang, H.-Y.; Feng, L.; Zhu, J.-Z.; Liu, J.-X.*; Li, W.-X.* 

Crystal-Phase Engineering in Heterogeneous Catalysis. 

Chemical Reviews. 2024, 124 (1), 164-209.




2023

60. Zhang, X.; Li, M.; Liu, X.; Li, A.; Deng, Y.; Peng, M.; Zhang, Y.; Vogt, C.; Monai, M.; Gao, J.; Qin, X.; Xu, Y.; Yu, Q.; Wang, M.; Wang, G.; Jiang, Z.; Han, X.; Brady, C.; Li, W.-X.; Zhou, W.; Liu, J.-X.*; Xu, B.; Weckhuysen, B.M.; Ma, D. An Integrated Carbon Dioxide Capture and Methanation Process. 

CCS Chem. 2023,  0 (0), 1-10.





59. Peng, G.; Zhao, J.-W.; Wang, J.; Hoenig, E.; Wu, S.; Wang, M.; He, M.; Zhang, L.;Liu, J.-X.*; Liu, C.*.

Crystal Structures of Molybdenum Borides Dictate Electrocatalytic Ammonia Synthesis Efficiency. 

Appl. Catal., B. 2023, 338, 123020.



58. Hu, L.; Zhu, J.; Duan, C.; Zhu, J.; Wang, J.; Wang, K.; Gu, Z.; Xi, Z.; Hao, J.; Chen, Y.; Ma, J.; Liu, J.-X.*; Ma, C.*.

Revealing the Pnma crystal structure and ion-transport mechanism of the Li3YCl6 solid electrolyte.

Cell Rep. Phys. Sci. 2023, 4 (6), 101428.



57. Liu, J.-X.#; Lu, S.; Ann, S.-B.; Linic, S.*, Mechanisms of Ethylene Epoxidation over Silver from Machine Learning-Accelerated First-Principles Modeling and Microkinetic Simulations. 

ACS Catal. 2023, 13, 8955-8962.



56. Kimpel, T. F.; Liu, J.-X.; Chen, W. 

Pestman, R.; Hensen, E. J. M., Pressure Dependence and Mechanism of Mn Promotion of Silica-Supported Co Catalyst in the Fischer-Tropsch Reaction. 

J. Catal. 2023, 425, 181-195. 





2022

55. Xu, M.; Qin, X.; Xu, Y.; Zhang, X.; Zheng, L.; Liu, J.-X.*; Wang, M.*; Liu, X.*; Ma, D.* 

Boosting CO hydrogenation towards C2+ hydrocarbons over interfacial TiO2−x/Ni catalysts. 

Nat Commun. 2022, 13 (1), 6720. 




54.  Luo, J.; Liu, J.-X.; Li, W.-X.*

H2 Activation on Pristine and Substitutional ZnO(10-10) and Cr2O3(001) Surfaces by Density Functional Theory Calculations

J. Phys. Chem. C. 2022126, 9059-9068. 




53. Chen, C., Jian, M.-Z.,Liu, J.-X.*, Li, W.-X.*

Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts. 

Chin. J. Chem. Phys. 2022, 35, 4  




2021

52. Zhao, H.#; Jiang, H.; Cheng, M.; Lin, Q.; lv, Y.; Xu, Y.; Xie, J.; Liu, J.-X.; Men, Z.*; Ma, D.*

Boron adsorption and its effect on stability and CO activation of χ-Fe5C2 catalyst: An ab initio DFT study

Appl. Catal. A: Gen. 2021, 607, 118382  




51. Wang J.#; Liu J.*; Zhang B.; Gao J.; Liu G.; Cui X.; Liu J.-X*; Jiang L.* .

Amine-ligand Modulated Ruthenium Nanoclusters as a Superior Bi-functional Hydrogen Electrocatalyst in Alkaline Media

J. Mater. Chem. A. 2021, 9, 22934-22942 




50. Jian M.#; Liu J.-X*; Li  W.-X*, 

Hydroxyl Improving the Activity, Selectivity and Stability of Supported Ni Single Atom for Selective Semi-Hydrogenation

Chem. Sci. 2021, 12, 10290-10298 




49. Wang S.#;  Li Z.; Yang M.; Li Y.; Li R.; Yu C.; Wang Y.; Jiang Y.; Li T.; Liu J.-X*; Zhang H.*;  Zhao Z.;  Xu C.;  Jiang G*, 

Achieving anti-sintering of supported platinum nanoparticles using a thermal management strategy

Sci. China Mater. 2021, 64, 1930-1938 




48. Su H.-Y.#; Sun K.*; Liu J.-X.; Ma X.; Jian M.; Sun C.; Xu Y.; Yin Y.;  Li W.-X*,

Bridge Sulfur Vacancies in MoS2 Catalyst for Reverse Water Gas Shift: A First-Principles Study

Appl. Surf. Sci. 2021, 561, 149925 




47. Zhang, Y. S.#; Liu, J.-X.#*; Qian, K.; Jia, A.; Li, D.; Shi, L.; Hu, J.; Zhu, J.; Huang, W.*, 

Structure–Sensitivity of Au–TiO2 Strong Metal–Support Interaction.

Angew. Chem. Int. Ed2021335, 135665.




46. Li, S.; Cao, R.; Xu, M.; Deng, Y.; Lin, L.; Yao, S.; Liang, X.; Peng, M.; Gao, Z.; Ge, Y.; Liu, J.-X.*; Li, W.-X.; Zhou, W.*; Ma, D.*. 

Atomically Dispersed Ir/Α-MoC Catalyst with High Metal Loading and Thermal Stability for Water-Promoted Hydrogenation Reaction.

Natl. Sci. Rev. 2021, 9 (1), nwab026.




2020

45.Lin, H.#; Liu, J.-X.#; Fan, H.*; Li, W.-X.*. 

Crystallographic and Morphological Sensitivity of N2 Activation over Ruthenium. 

Chin. J. Chem. Phys.2020, 34, 263-272 



44.Zhao, H.#; Liu, J.-X#.; Yang, C.#; Yao, S.; Su, H.-Y.; Gao, Z.; Dong, M.; Wang, J.; Hou, Y.*; Li, W.-X.*, Ma, D.*. 

Synthesis of Iron-Carbide Nanoparticles: Identification of the Active Phase and Mechanism of Fe-Based Fischer–Tropsch Synthesis.

CCS Chem. 2020, 2, 2712-2724.



43.Su, H.-Y.; Yu, C.; Liu, J.-X.; Zhao, Y.; Ma, X.; Luo, J.; Sun, C.; Li, W.-X.*; Sun, K.*. 

CO Activation and Methanation Mechanism on Hexagonal Close-Packed Co Catalysts: Effect of Functionals, Carbon Deposition and Surface Structure. 

Catal. Sci. Technol. 2020, 10, 3387-3398.




42.Lin, H.#; Liu, J.-X.#; Fan, H.-J.*; Li, W.-X.*. 

Morphology Evolution of Fcc and Hcp Cobalt Induced by a Co Atmosphere from Ab Initio Thermodynamics.

J. Phys. Chem. C. 2020, 124, 23200-23209.




41.Lin, H.#; Liu, J.-X.#; Fan, H.*; Li, W.-X.*,

Compensation between Surface Energy and Hcp/Fcc Phase Energy of Late Transition Metals from First-Principles Calculations.

J. Phys. Chem. C. 2020, 124, 11005-11014.




40.Su, Y.-Q.; Zhang, L.; Wang, Y.; Liu, J.-X.; Muravev, V.; Alexopoulos, K.; Filot, I. A.; Vlachos, D. G.*; Hensen, E. J.*, 

Stability of Heterogeneous Single-Atom Catalysts: A Scaling Law Mapping Thermodynamics to Kinetics. 

NPJ Comput. Mater. 2020, 6, 1-7.




39.Zijlstra, B.#; Zhang, X.#; Liu, J.-X.#; Filot, I. A. W.; Zhou, Z.; Sun, S.; Hensen, E. J. M.*, 

First-Principles Microkinetics Simulations of Electrochemical Reduction of COover Cu Catalysts. 

Electrochim. Acta. 2020, 335, 135665.






38.Lin, H.#; Liu, J.-X.#; Fan, H.*; Li, W.-X.*,

Compensation between Surface Energy and hcp/fcc Phase Energy of Late Transition Metals from First-Principles Calculations. 

J. Phys. Chem. C. 2020, 124, 11005-11014.