基本信息
1999-2004年先後在德國馬克斯-普朗克協會Fritz-Haber研究所，丹麥Aarhus大學從事博士後研究。2004年，在中國科學院大連化學物理研究所工作，2005年在催化基礎國家重點實驗室，創建“理論催化”研究組，並任組長。李微雪研究員獲2004年中國科學院“百人計畫”擇優支持。2006年起，任中國科學院-德國馬克斯-普朗克協會夥伴研究小組組長，研究方向為催化氧化理論。
研究方向
長期從事理論與計算材料催化化學，及其多相催化反應理論研究。近期研究興趣包括:
(1)催化反應結構敏感性研究：從第一性原理計算出發，研究CO活化、C-C鍵形成、重整反應；著眼點是催化材料晶相、行貌、尺寸對催化反應活性、選擇性的影響和調控。
(2)催化材料穩定性理論研究：發展適合於描述原位反應條件下的催化材料結構演化和穩定性的動力學理論和方法。
代表論著
1.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.
2.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.
3.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.
4.Mechanistic Studies of Water Electrolysis and Hydrogen Electro-Oxidation on High Temperature Ceria-Based Solid Oxide Electrochemical Cells, C. J. Zhang, M. Grass, Y. Yu, C. Dejoie, W. C. Ding, K. Gaskell, N. Jabeen, Y. P. Hong, A. Shavorskiy, H. Bluhm, W. X. Li, G. Jackson, Z. Hussain, Z. Liu, B. Eichhorn, J. Am. Chem. Soc.
5.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
6.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, and W. X. Li; Angew. Chem. Int. Ed
7.Size-selective carbon nano-clusters as precursors to the growth of epitaxial graphene; B. Wang, X. F. Ma, M. Caffio, R. Schaub, and W. X. Li; Nano Lett.
8.Interface confined ferrous centers for catalytic oxidation; Q. Fu, W. X. Li, Y. X Yao, H. Y. Liu, H. Yan Su, D. Ma, X. K. Gu, L. M. Chen, Z. Wang, H. Zhang, B. Wang, X. H. Bao; Science
9.In Situ UV Raman Spectroscopic Study on the Synthesis Mechanism of AlPO-5; F. T Fan, Z. C. Feng, K. J. Sun, M. L. Guo, Q. Guo, Y. Song, W. X. Li, and C. Li; Angew. Chem
10.Experimental observation of quantum oscillation of surface chemical reactivities; X. Ma, P. Jiang, Y. Qi, J.F. Jia, Y. Yang, W.H. Duan, W. X. Li, X.H. Bao, S. B. Zhang, and Q.K. Xue; PNAS
11.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.
12.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, and J. N. Andersen; Phys. Rev
13.Two-step reaction on a strained, nanoscale segmented surface; C. Africh, F. Esch, W. X. Li, M. Corso, B. Hammer, R. Rosei, and G. Comelli; Phys. Rev. Lett
14.Oxidation of Pt(110); W. X. Li, L. Osterlund, E. K. Vestergaard, R.T. Vang, J. Matthiesen, T.M. Pedersen, E. L?gsgaard, B. Hammer, and F. Besenbacher ; Phys. Rev. Lett
15.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 and M. Scheffler; Phys. Rev
16.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, and M. Scheffler; Phys. Rev
