PUBLICATION
2021 - Now (USTC/China)
(179) Nature of Metal-Support Interaction for Metal Catalysts on Oxide Supports
T. R. Wang, J. Y. Hu, R. H. Ouyang, Y. T. Wang, Y. Huang, S. L. Hu, W. X. Li
Science. 386 (2024) 915–920 (
PDF) (news report)
(178) Fine-Tuned Coordination Environment of Pt-Fe-Pt Active Site for Selective HeterogeneousHydrogenation of Crotonaldehyde
D. Zhou, J. J. Wang, M. Z. Jian, Y. Li, Z. Jiang, G. H. Zhang, S. Liu, Y. Zhou, J. K. WeiC. Wöll, W. X. Li, Y. M. Wang, W. J. Shen
(177) Ion-irradiation-induced coordinatively unsaturated Zn sites for enhanced CO hydrogenation
W. P. Shao, Y. J. Ling, H. R. Peng, J. Luo, Y. J. Cao, Y. H. Ran, J. Cai, J. Y. Lv, B. W. Zhu, Y. Liu, Y. X. Chen, N. Li, F. Jiao,
H. Q. Chen, Y. F. Zhu, X. Ou, Y. M. Wang, C. Wöll, Q. Fu, X. L. Pan, P. J. Hu, W. X. Li, Z. Liu, X. H. Bao, F. Yang
J. Am. Chem. Soc.（2025） (PDF)
(176) Collectivity of Active Sites for Cluster Catalysis under Operational Conditions
J. L. Chen, X. C. Jiang, L. Feng, J. Z Zhu, J. W. Zhao, J. X. Liu, W. X. Li
Nat. Chem. (Submitted)
(175) Spatial segregation of three-dimensional Al2O3 supported PtSn catalyst for improved sintering-resistant at high temperature
Z . Zhang, C. C. Du, H. W. Li, J. Y. Hu, F. Yang, J. Y. Huang, S. L. Hu, W. X. Li, H. F. Xiong
Appl. Catal. B Environ 358(2024) 124334 (PDF)
(174) Atomically intimate assembly of dual metal‒oxide interfaces for tandem conversion of syngas to ethanol
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
Nat. Nanotechnol. 2024 (PDF)
(173) The Nature of the Active Center for the Oxygen Reduction Reaction on Ag-Based Single-Atom Alloy Cluster
Y. X. Pu, J. L. Chen, L. Feng, J. Z. Zhu, X. C. Jiang, W. X. Li, J. X. Liu
JACS Au. 4 (2024) 2886-2895 (PDF)
(172) Structure Sensitivity of Metal Catalysts Revealed by Interpretable Machine Learning and First-principles Calculations
W. Shu, J. C. Li, J. X. Liu, C. W. Zhu, T. R. Wang, L. Feng, R. H. Ouyang. W. X. Li
J. Am. Chem. Soc. 146 (2024) 8737-8745 (PDF) (news report)
(171) Reactant-Induced Dynamic Stabilization of Highly Dispersed Pt Catalysts on Ceria Dictating the Reactivity of CO Oxidation
C. Chen, J. L. Chen, L. Feng, J. Y. Hu, X. T. Chai, J. X. Liu, W. X. Li
ACS. Catal. 14 (2024) 3504-3513 (PDF)
(170) Physics-informed learning and classifying nanocatalysts' deactivation curves for deconstructing environment-dominated
nanoenergetics
S. L. Hu, and W. X. Li
Nat. Catal. 2023 (in revision)
(169) Crystal-phase Engineering in Heterogeneous Catalysis
J. W. Zhao, H. Y. Wang, L. Feng, J. Z. Zhu, J. X. Liu, W. X. Li
Chem. Rev. 124 (2024) 164-209 (PDF)
(168) An Integrated Carbon Dioxide Capture and Methanation Process
X. Zhang, M. Li, X. Liu, A. Li, Y. Deng, M. Peng, Y. Zhang, C.Vogt, M. Monai, J. Gao, X. Qin, Y. Xu, Q. Yu, M. Wang, G. Wang, Z. Jiang, X. Han, C. Brady, W. X. Li, W. Zhou, J. X. Liu, B. Xu, B. M. Weckhuysen, D. Ma
(167) Atomic-Scale Visualization of Heterolytic H2 Dissociation and COx Hydrogenation on ZnO under Ambient Conditions
Y.J. Ling, J. Luo, Y. H. Ran, Z. Liu. W. X. Li, F. Yang
J. Am. Chem. Soc. 145 (2023) 22697-22707 (PDF)
(166) Molecule Saturation Boosts Acetylene Semihydrogenation Activity and Selectivity on a Core-Shell Ruthenium@Palladium
Catalyst
C. W. Zhu, W. L. Xu, F. Liu, J. Luo, J. L. Lu, W. X. Li
Angew. Chem. Int. Ed 62 (2023) e202300110 （PDF）
(165) Dopant Triggered Atomic Configuration Activates Water Splitting to Hydrogen
R. Wu, J. Xu, C. L. Zhao, X. Z. Su, X. L. Zhang, Y. R. Zheng, F. Y. Yang, X. S. Zheng, J. F. Zhu, J. Luo, W. X. Li,
M. R. Gao, S. H. Yu
Nature. Commum 14 (2023) 2306（PDF）
(164) First-principles Study of the Effect of the Local Coordination Environment on the Electrochemical Activity of Pd1-CxNy
Single Atom Catalysts
Y. Huang, C. W. Zhu, J. L. Liao, X. K. Gu, W. X. Li
Chem. Eng. Sci 270 (2023) 118551 (PDF)
(163) Conjugated Dual Size Effect of Core-Shell Particles Synergizes Bimetallic Catalysis
X. H. Zhang, Z. H. Sun, R. Jin, C. W. Zhu, C. L. Zhao, Y. Lin, Q. Q. Guan, L. N. Cao, H. W. Wang, S. Li, H. C. Yu,
X. Y. Liu, L. L. Wang, S. Q. Wei, W. X. Li, J. L. Lu
Nat. Commun 15 (2023) 530 (PDF)
(162) First-Principles Thermodynamics Study of CO/OH Induced Disntegration of Precious Metal Nanoparticles on TiO2(110)
S. Y. Cao, S. L. Hu, W. X. Li
Chin. J. Chem. Phys 36 (2023) 4(PDF)
(161) Understanding the effect of the exchange-correlation functionals on methane and ethane formation over ruthenium catalysts
C. Chen, M. Z. Jian, J. X. Liu, W. X. Li
Chin. J. Chem. Phys 35 (2022) 4(PDF)
(160) Tuning Crystal-phase of Bimetallic Single-nanoparticle for Catalytic Hydrogenation
S. Liu, Y. Li, X. J. Yu, S. B. Han, Y. Zhou, Y. Q. Yang, Z. jiang, C. W. Zhu, W. X. Li, C. Woll, Y. M. Wang, W. J. Shen
Nat. Commun 13 (2022) 4559 (PDF)
(159) H2 Activation on Pristine and Substitutional ZnO(10-10) and Cr2O3(001) Surfaces by Density Functional Theory
Calculations
J. Luo, J. X. Liu, W. X. Li
J. Phys. Chem. C 126 (2022) 9059-9068(PDF)
(158) First-Principles Study of Oxygen-Induced Disintegration and Ripening of Late Transition Metal Nanoparticles on
Rutile-TiO2(100)
S.Y. Cao, X. T. Chai, S. L. Hu, W. X. Li
J. Phys. Chem. C 126 (2022) 8056-8064 (PDF)
(157) In Situ Spectroscopic Characterization and Theoretical Calculations Identify Partially Reduced ZnO1-x/Cu Interfaces for
Methanol Synthesis from CO2
X. Y. Liu, J. Luo, H. W. Wang, L. Huang, S. S. Wang, S. Li, Z. H. Sun, F. F. Sun, Z. Jiang, S. Q. Wei, W. X. Li, J. L. Lu
Angew. Chem. Int. Ed. 61 (2022) e202202330 (PDF)
(156) Dynamic chemical processes on ZnO surfaces tuned by physisorption under ambient conditions
Y. J. Ling, J. Luo, Y. H. Ran, Y. J. Cao, W. G. Huang, J. Cai, Z. Liu, W. X. Li, F. Yang, X. H. Bao
J. Energy Chem. 72 (2022) 258-264 (PDF)
(155) Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces
H. Y. Su, K. J. Sun, X. K. Gu, S. S. Wang, J. Zhu, W. X. Li, C. H. Sun, F. Call-Vallejo
ACS. Catal. 12 (2022) 1237-1246(PDF)
(154) Atomically dispersed Ir/α-MoC catalyst with high metal loading and thermal stability for water-promoted hydrogenation reaction
S. W. Li, R. C. Zhao, M. Q. Xu, Y. C. Deng, L. L. Lin, S. Y. Yao, M. Peng, Z. R. Gao, Y. Z. Ge, J. X. Liu, W. X. Li, W. Zhou,
D. Ma
Natl. Sci. Rev. 9 (2022) nwab026 (PDF)
(153) Highly Selective Olefin Production from CO2 Hydrogenation on Fe Catalysts Enabled by a Subtle Synergy between Mn
and Na Additives
W. X. Li;
Acta. Phys. -Chim. Sin. 37 (2021) 2010062 (PDF)
(152) K-Edge Xanes investigation of Fe-based oxides by density functional theory calculations
J. Zhu, Z. H. Zeng, W. X. Li
J. Phys. Chem. C. 125 (2021) 26229-26239 (PDF)
(151) Sabatier principle of metal-support interaction for design of ultrastable metal nanocatalysts
S. L. Hu, W. X. Li
Science.374 (2021) 1360-1365 (PDF)
(150) Bimetallic monolayer catalyst breaks catalytic volcanoes on metal particle size for efficient chemoselective hydrogenation
Q. Q. Guan, C. W. Zhu, Y. Lin, E. I. Vovk, X. H. Zhou, Y. Yang, H. C.Yu, L. N. Cao, H. W. Wang, X. H. Zhang, X. Y. Liu,
S. Q. Wei, W. X. Li, J. L. Lu
Nat. Catal. 4 (2021) 840-849 (PDF)
(149) Boosting Activity and Stability of Metal Single-Atom Catalysts via Regulation of Coordination Number and Local
Composition
L. L. Wang, C. W. Zhu, C. L. Zhao, J. Gu, L. N. Cao, X. H. Zhang, Z. H. Sun, S. Q. Wei, W. X. Li, J. L. Lu
J. Am. Chem. Soc.143 (2021) 18854-18858 (PDF)
(148) Bimetallic Cu/Rh Catalyst for Preferential Oxidation of CO in H2: a DFT Study
C. W. Zhu, X. K. Gu, W. X. Li
J. Phys. Chem. C. 125 (2021) 19697-19705 (PDF)
(147) Hydrogen activation over stoichiometric and defective CeO2 surfaces: A first-principles study.
Z. H. Chen, C. L. Zhao, J. X. Liu, W. X. Li
J. Uni. Sci. Tech. Chin. 6 (2021) 485-493(PDF)
(146) Quantification of critical particle distance for mitigating catalyst sintering
P. Yin, S. L. Hu., K. Qian, Z. Y. Wei, L. L. Zhang, Y. Lin, W. X. Huang, H. F. Xiong, W. X. Li, H. F. Liang
Nat. Commun. 12 (2021) 4865 (PDF)
(145) Synergizing metal-support interactions and spatial confinement boosts dynamics of atomic nickel for hydrogenations
J. Gu, M. Z. Jian, L. Huang, Z. H. Sun, A. W. Li, Y. Pan, J. Z. Yang, W. Wen, W. Zhou, Y. Lin, H. J. Wang, X. Y. Liu,
L. L. Wang, X. X. Shi, X. H. Huang, L. N. Cao, S. Chen, X. S. Zheng, H. B. Pan, J. F. Zhu, S. Q. Wei, W. X. Li, J. L. Lu
Nat. Nanotechol. 16 (2021) 1141-1149 (PDF)
(144) Bridge sulfur vacancies in MoS2 catalyst for reverse water gas shift: A first-principles study
H. Y. Su, K. J. Sun, J. X. Liu, X. F. Ma, M. Z. Jian, C. H. Sun, Y. J. Xu, H. B. Yin, W. X. Li
Appl. Surf. Sci. 561 (2021) 149925-149937 (PDF)
(143) Hydroxyl Improving the Activity, Selectivity and Stability of Supported Ni Single Atom for Selective Semi-Hydrogenation
M. Z. Jian, J. X. Liu, W. X. Li
Chem. Sci. 12 (2021) 10290-10298 (PDF)
(142) ZIF-L membrane with a membrane-interlocked-support composite architecture for H2/CO2 separation
K. Yang, S. L. Hu, Y. J. Ban, Y. W. Zhou, M. Zhao, Y. F. Xiao, W. X. Li, W. S. Yang
Sci. Bull. 66 (2021) 1869-1876 (PDF)
(141) Intrinsic Electrocatalytic Activity for Oxygen Evolution of Crystalline 3d-Transition Metal Layered Double Hydroxides
F. Dionigi, J. Zhu, Z. H. Zeng, T. Merzdorf, H. Sarodnik, M. Gliech, L. J Pan, W. X. Li, J. Greeley, P. Strasser
Angew. Chem. Int. Ed. 60 (2021) 14446-14457 (PDF)
(140) Water enables mild oxidation of methane to methanol on gold single-atom catalysts
L. H. Luo, J. Luo, H. L. Li, F. N. Ren, Y. F. Zhang, A. D. Liu, W. X. Li, J. Zeng
Nat. Commun. 12 (2021) 1218 (PDF)
