Curriculum Vitae

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Prof. Dr. Wei-Xue Li (李微雪)


Research Interests
  1. Theoretical and Computational Heterogenous Catalysis.
  2. Structural Sensitivity and Stability of Catalyts: crystal phase, morphology, size and interface effect.
  3. Selectivity of Catalysts: synthesis gas and methanol chemistry, carbon-oxygen bond activation and carbon-carbon bond formation.
  4. Dynamics Evolution and Kinetics Growth of Supported Nanocatalysts under Operating Condition.
Education
  • Sept 1995 - Dec 1999, Ph. D. Major in Mechanics, Superviser Prof. Tzu-Chiang Wang,
    Institute of Mechanics, Chinese Academy of Sciences(CAS), Beijing, China
  • Sept 1992 – June 1995, Master Major in Atomic Physics, Superviser Prof. Qingbiao Shen,
    Institute of Atomic Energy of China, Beijing, China
  • Sept 1988 – June 1992,Bachelor Major in Theoretical Physics, Superviser Prof. Nianning Huang,
    Department of Physics, Wuhan University, Wuhan, China
Work Experience
  • June 2015 – now, Professor,
    Department of Chemical Physics, School of Chemistry and Materials Science,
    Division of Theory and Computation, Hefei National Laboratory for Physicsal Sciences at the Microscale,
    University of Science and Technology of China, Hefei, China
  • July 2004 – June 2015, Professor, Group Leader of Theoretical Catalysis Group
    State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics (DICP), CAS, Dalian, China
  • August 2002 – June 2004, Post-doc collaborated with Prof. Dr. Bjork Hammer,
    Department of Physics and Astronomy, Aarhus University, Aarhus, Denmark
  • Feb 1999 – July 2002, Post-doc collaborated with Prof. Dr. Matthias Scheffler,
    Theory Division, Fritz-Haber Institute, Max-Planck-Society, Berlin, Germany
Awards
  • 2016, National High-Level Talent Special Support Program
  • 2014, National Youth Catalysis Award, Chinese Society of Catalysis
  • 2014, Zhu Liyuehua Outstanding Teacher Award of CAS
  • 2013, Excellent Master Tutor in Liaoning Province
  • 2013, Leading Talent in Dalian City, Liaoning Province
  • 2012, Science and Technology Innovation Award, DICP, CAS
  • 2012, National Outstanding Youth Fund, National Natural Science Foundation of China
  • 2009, Excellent Postdoctoral Supervisor, DICP, CAS
  • 2004, Hundred Talent, CAS
Representative Papers

  1. Carbon Monoxide Activation on Cobalt Carbide for Fischer–Tropsch Synthesis from First-Principles Theory
    P. P. Chen, J. X. Liu, W. X. Li; ACS Catal. 9 (2019) 8093−8103 (PDF)

  2. Engineering the electronic structure of single atomic Ru sites via compressive strain boosts acidic water oxidation electrocatalysis
    Y. C. Yao, S. L Hu, W. X. Chen, Z. Q. Huang, W. C. Wei, T. Yao, R. R. Liu, K. T. Zang, X. Q. Wang, G. Wu, W. J. Yuan, T. W. Yuan, W. Liu, Z. J. Li, D. S. He, Y. Wang, X. S. Zheng, J. C. Dong, C. R. Chang, J. Luo, S. Q. Wei, W. X. Li, P. Strasser, Y. D. Li, Y. E. Wu; Nat. Catal. 2 (2019) 304-313 (PDF)

  3. Disentangling the size-dependent geometric and electronic effects of palladium nanocatalysts beyond selectivity
    H. W. Wang, X. K. Gu, X. S. Zheng, H. B. Pan, J. F. Zhu, S. Chen, L. N. Cao, W. X. Li, J. L. Lu; Sci. Adv. 5 (2019) eaat6413(PDF)

  4. Metal Support Interaction Controlled Migration and Coalescence of Supported Particles
    S. L. Hu, W. X. Li; Sci. China-Technol. Sci. 62 (2019) 762-772 (PDF)

  5. Influence of Particle Size Distribution on Life Time and Thermal Stability of Ostwald Ripening of Supported Particles
    S. L. Hu, W. X. Li; ChemCatChem 10 (2018) 2900-2907 (PDF)

  6. Theoretical Investigation of Metal Support Interaction on Ripening Kinetics of Supported Particles
    S. L. Hu, W. X. Li; ChemNanoMat 4 (2018) 510-517 (PDF)

  7. Chemical Insights into the Design and Development of Face-Centered Cubic Ruthenium Catalysts for Fischer–Tropsch Synthesis
    W. Z. Li, J. X. Liu, J. Gu, W. Zhou, S. Y. Yao, R. Si, Y. Guo, H. Y. Su, C. H. Yan, W. X. Li, Y. W. Zhang, D. Ma; J. Am. Chem. Soc. 139 (2017) 2267-2276 (PDF)

  8. Water-Mediated Mars–Van Krevelen Mechanism for CO Oxidation on Ceria-Supported Single-Atom Pt1 Catalyst
    C. L. Wang, X. K. Gu, H. Yan, Y. Lin, J. J. Li, D. D. Liu, W. X. Li, J. L. Lu; ACS Catal. 7 (2017) 887-891 (PDF)

  9. Theoretical study of crystal phase effect in heterogeneous catalysis
    J. X. Liu, W. X. Li; WIREs Comput. Mol. Sci. 6 (2016) 571–583 (PDF)

  10. High Alcohols Synthesis via Fischer–Tropsch Reaction at Cobalt Metal/Carbide Interface
    Y. P. Pei, J. X. Liu, Y. H. Zhao, Y. J. Ding, T. Liu, W. D. Dong, H. J. Zhu, H. Y. Su, L. Yan, J. L. Li, W. X. Li; ACS Catal. 5 (2015) 3620-3624 (PDF)

  11. Supported Single Pt1/Au1 Atoms for Methanol Steam Reforming
    X. K. Gu, B. T. Qiao, C. Q. Huang, W. C. Ding, K. J. Sun, E. S. Zhan, T. Zhang, J. Y. Liu, W. X. Li; ACS Catal. 4 (2014) 3886–3890 (PDF)

  12. Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
    J. X. Liu, H. Y. Su, D. P. Sun, B. Y. Zhang, W. X. Li; J. Am. Chem. Soc. 135 (2013) 16284–16287(PDF)

  13. Atomistic Theory of Ostwald Ripening and Disintegration of Supported Metal Particles under Reaction Conditions
    R. H. Ouyang, J. X. Liu, W. X. Li; J. Am. Chem. Soc. 135 (2013) 1760-1771 (PDF)

  14. Platinum-modulated Cobalt NanoCatalysts for Low Temperature Aqueous Phase Fischer-Tropsch Synthesis
    H. Wang, W. Zhou, J. X. Liu, R. Si , G. Sun, M. Q. Zhong , H. Y. Su, H. B. Zhao, J. A. Rodriguez, S. J. Pennycook, J. C. Idrobo, W. X. Li, Y. Kou, D. Ma; J. Am. Chem. Soc. 135 (2013) 4149-4158 (PDF)

  15. In-situ Oxidation Study of Pt(110) and its Interaction with CO
    D. R. Butcher, M. E. Grass, Z. H. Zeng, F. Aksoy, H. Bluhm, W. X. Li, B. S. Mun, G. A. Somorjai, Z. Liu; J. Am. Chem. Soc. 133 (2011) 20319-20325 (PDF)

  16. Carbon Chain Growth via Formyl Insertion on Rh and Co Catalysts in Syngas Conversion
    Y. H. Zhao, K. J. Sun, X. F. Ma, J. X. Liu, D. P. Sun, H. Y. Su, W. X. Li; Angew. Chem. Int. Ed. 50 (2011) 5335-5338 (PDF)

  17. Size-selective carbon nano-clusters as precursors to the growth of epitaxial graphene
    B. Wang, X. F. Ma, M. Caffio, R. Schaub, W.X. Li; Nano Lett. 11(2) (2011) 424-430 (PDF)

  18. Interface confined ferrous centers for catalytic oxidation
    Q. Fu, W. X. Li, Y. X. Yao, H. Y. Liu, H. Y. Su, D. Ma, X. K. Gu, L. M. Chen, Z. Wang, H. Zhang, B. Wang, X. H. Bao; Science 328 (2010) 1141-1144 (PDF)

  19. Role of surface elastic relaxations in an O-induced nanopattern on Pt(110)-(1x2)
    S. Helveg, W. X. Li, N. C. Bartelt, S. Horch, E. Laegsgaard, B. Hammer and F.Besenbacher; Phys. Rev. Lett. 98 (2007) 115501-4 (PDF)

  20. One-dimensional PtO2 Oxide at Pt Steps: formation and reaction with CO
    J. G. Wang, W. X. Li, M. Borg, J. Gustafson, A. Mikkelsen, T. M. Pedersen, E. Lundgren, J. Weissenrieder, J. Klikovits, M. Schmid, B. Hammer, J. N. Andersen; Phys. Rev. Lett. 95 (2005) 256102-4 (PDF)

  21. Two-step reaction on a strained, nanoscale segmented surface
    C. Africh, F. Esch, W. X. Li, M. Corso, B. Hammer, R. Rosei, G. Comelli; Phys. Rev. Lett. 93 (2004) 126104-4(PDF)

  22. Oxidation of Pt(110)
    W. X. Li, L. Österlund, E. K. Vestergaard, R.T. Vang, J. Matthiesen, T.M. Pedersen, E. Lægsgaard, B.; Phys. Rev. Lett. 93 (2004) 146104-4(PDF)

  23. Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst
    W. X. Li, C. Stampfl, M. Scheffler; Phys. Rev. Lett. 90 (2003) 256102-4 (PDF)

  24. The role of sub-surface oxygen in oxide formation at transition metal surfaces
    M. Todorova, W. X. Li, M.V. Ganduglia-Pirovano, C. Stampfl, K. Reuter, M. Scheffler; Phys. Rev. Lett. 89 (2002) 096103-4 (PDF)

  25. Elasticity, stability and ideal strength of beta-SiC in plane-wave-based ab initio calculations
    W. X. Li, T. C. Wang; Phys. Rev. B 59 (1999) 3993-4001 (PDF)

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