1.研究方向 (1)沸石分子筛催化剂性能的理论计算; 2.科研项目(国家级、省部级): (1)国家自然科学基金委员会,面上项目,21975174,MCH低温高效脱氢镍基催化剂的构建及其催化性能研究,2020-01至2023-12,65万元,在研,参加 (2)国家自然科学基金委员会,国家自然科学基金石油化工联合基金(B类)项目,U1463209,规整化多级孔沸石基催化剂对烃类大分子吸附、扩散和反应性研究,2015-01至2018-12,300万元,已结题,参加 (3)国家自然科学基金委员会,国家自然科学基金应急管理项目,51451002,介孔氧化铝的结构修饰及其性能研究,2015-01至2015-12,15万元,已结题,参加 (4)国家自然科学基金委员会,国家自然科学基金面上项目,21371129,多级孔复合沸石的定向设计合成及其酸性位和孔结构的可调控性研究,2014-01至2017-12,75万元,已结题,参加 3.代表性论文 (限5篇,时间倒序) (1)Xing Bin; Ma Jinghong; Li Ruifeng *; Jiao Haijun *; Location, distribution and acidity of Al substitution in ZSM-5 with different Si/Al ratios–a periodic DFT computation, Catalysis Science & Technology, 2017, 7(23): 5694-5780. (2)Xing Bin; Wang Guichang*; Insight into the general rule for the activation of the X-H bonds (X=C, N, O, S) induced by the chemisorbed oxygen atom, Physical Chemistry Chemical Physics, 2014, 16(6): 2621-2629. (3)Xing Bin; Wei Zizhang; Wang Guichang*; Acetate coverage effect on thereactivity of vinyl acetate synthesis on Pd/Au alloy surfaces, Journal of Energy Chemistry, 2013, 22(4): 671-679. (4)Xing Bin; Pang Xianyong; Wang Guichang*; C–H bond activation of methane on clean and oxygen pre-covered metals: A systematic theoretical study, Journal of Catalysis, 2011, 282(1): 74-82. (5)Xing Bin; Pang Xianyong; Wang Guichang*; Shang Zhenfeng*; Investigation the active site of methane dissociation on Ni-based catalysts: A first-principles analysis. Journal of Molecular Catalysis A: Chemical, 2010, 315(2): 187-196.