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能源和环境相关的催化剂作用和反应机理、催化剂制备,及理论化学计算模拟。

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Hou, Y.H.; Lin, Y. L.; Li, Q.; Weng, W. Z.; Xia, W. S.; Wan, H.L. Effects of Polyvinylpyrrolidone on the Preparation of Supported La2O3 Catalysts by a Modified Impregnation Method for the Oxidative Coupling of Methane, ChemCatChem, 2013, DOI: 10.1002/cctc.201300667. Li, Qi; Hou, Yu-Hui; Dong, Ling-Yu; Huang, Ming-Xiang; Weng, Wei-Zheng; Xia, Wen-Sheng; Wan, Hui-Lin. Catalytic Behaviors and Stability of Aerogel Silica-Supported Ni Catalysts for the Partial Oxidation of Methane into Synthesis Gas. Acta Physico-Chimica Sinica, 2013, 29, 2245-2254. Xia, Wensheng; Zhang, Da; Weng, Weizheng; Wan, Huilin. Pathways between superoxide and peroxide species on small La-O clusters. Chinese Journal of Catalysis, 2013, 34, 2130-2137. Xia, W. S.; Hou, Y. H.; Chang, G.; Weng, W. Z.; Han, G. B.; Wan, H. L. Partial Oxidation of Methane into Syngas (H2+CO) over Effective High-Dispersed Ni/SiO2 Catalysts Synthesized by a Sol-Gel Method. International Journal of Hydrogen Energy, 2012, 37, 8343-8353. Jing, X. L.; Chen, Q. C.; He, C.; Zhu, X. Q.; Weng, W. Z.; Xia, W. S.; Wan, H. L. Mechanistic aspects of photo-induced formation of peroxide ions on the surface of cubic Ln2O3 (Ln = Nd, Sm, Gd) under oxygen. Physical Chemistry Chemical Physics, 2012, 14, 6898-6904. Xia, W. S.; Chang G.; Hou, Y. H.; Weng, W. Z.; Wan, H. L. Influence of Ni Chemical States on the Partial Oxidation Mechanism of Methane: An Energetics Analysis. Acta Physico-Chimica Sinica, 2011, 27, 1567-1573 Hou, Y. H.; Chang, G.; Weng, W. Z.; Xia, W. S.; Wan, H. L. Nano-lanthanum Oxyhalide Prepared by Nonaqueous Sol-Gel for Oxidative Coupling of Methane. Chinese Journal of Catalysis, 2011, 32, 1531-1536 Wang, M. L.; Zheng, H. Z.; Li, J. M.; Weng, W. Z.; Xia, W. S.; Huang, C. J.; Wan, H. L. In Situ Raman and Pulse Reaction Study on the Partial Oxidation of Methane to Synthesis Gas over a Pt/Al2O3 Catalyst. Chemistry-an Asian Journal, 2011, 6, 580-589 Liu, Y.; Huang, F. Y.; Li, J. M.; Weng, W. Z.; Luo, C. R.; Wang, M. L.; Xia, W. S.; Huang C. J.; Wan,H. L. In situ Raman study on the partial oxidation of methane to synthesis gas over Rh/Al2O3 and Ru/Al2O3 catalysts, Journal of Catalysis, 2008, 256, 192-203 Fu, G.; Yi, X. D.; Huang, C. J.; Xu, X.; Weng, W. Z.; Xia, W. S.; Wan, H. L. Developing selective oxidation catalysts of light alkanes: From fundamental understanding to rational design, Surface Review and Letters, 2007, 14, 645-656 Xia, W.; Li, J.H.; Weng, W.Z.; Wan, H.L. Can superoxide species be formed at small La-O clusters in the presence of oxygen? A DFT study. Chemical Physics Letters, 2006, 423, 427-433. Xia, W.S.; Sellers, H. ab initio gas-phase bond energies of CNHx isomers and the reactivity and stability of aminomethylidyne (CNH2) on metal surfaces: UBI-QEP analysis. Surface Science, 2003, 524, 15-28. Gislason, J.; Xia, W.S.; Sellers, H. Selective hydrogenation of acetylene in an ethylene rich flow: Results of kinetic simulations. Journal of Physical Chemistry A, 2002, 106, 767-774. Xia, W.S.; Lin, M.C. A multifacet mechanism for the OH+HNO3 reaction: An ab initio molecular orbital/statistical theory study. Journal of Chemical Physics, 2001, 114, 4522-4532. Xia, W.S.; Zhu, R.S.; Lin, M.C.; Mebel, A.M. Low-energy paths for the unimolecular decomposition of CH3OH: A G2M/statistical theory study. Faraday Discussions, 2001, 119, 191-205. Moskaleva, L.V.; Xia, W.S.; Lin, M.C. The CH+N2 reaction over the ground electronic doublet potential energy surface: a detailed transition state search. Chemical Physics Letters, 2000, 331, 269-277.

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