主持的科研项目： [1]合成气甲烷化Ni/MCM-41催化剂的研究，兵团博士资金，2013-2015，主持； [2]基于反应机理设计高性能甲醇定向转化制苯乙烯催化剂，国家自然科学基金，2013-2016，主持； [3]分子筛对烷基转移和苯乙烯加氢反应的影响，石河子大学杰出青年培育，2015-2017，主持。 代表性论文： [1] Yun Wang, Lihua Kang*, Selective hydrogenation of acetylene catalyzed by nickel and nitrogen-doped C-34: A density functional theory study, Chemical Physics Letters, 2020, 757, 137871. [2] Xuening Zhou, Lihua Kang*, Density functional theory study of non-metal catalysts with different CN ratios for acetylene hydrochlorination, Colloids and Surfaces A-physicochemical and engineering aspects, 2020,603, 125230. [3] Xuening Zhou; Mingyuan Zhu; Lihua Kang*, Single-Atom X/g-C3N4(X = Au1, Pd1, and Ru1) Catalysts for Acetylene Hydrochlorination: A Density Functional Theory Study, Catalysts 2019, 9, 808. [4] Yu Zhao, Mingyuan Zhu, Lihua Kang*, The DFT Study of single-atom Pd1/g-C3N4 catalyst for Selective Acetylene Hydrogenation Reaction, Catalysis Letters, 2018, 148(10), 2992-3002. [5] Fei Zhao, Lihua Kang*,The Neglected Significant Role for Graphene-Based AcetyleneHydrochlorinationCatalysts —Intrinsic Graphene Defects, ChemistrySelect 2017, 2(21),6016 –6022. [6] Yanxin Wang, Yan Su, Mingyuan Zhu, Lihua Kang*,Stability and nucleation of Ir-n (n=1-5) clusters on different gamma-Al2O3 surfaces: A density functional theory study, PHYSICS LETTERS A, 2016, 380 ( 5-6) 718-725. [7] Yanxin Wang, Yan Su, Mingyuan Zhu, Lihua Kang*, Mechanism of CO methanation on the Ni4/γ-Al 2O3 and Ni3 Fe/γ-Al2O3 catalysts: A density functional theory study[J]. International Journal of Hydrogen Energy, 2015, 40(29): 8864-8876. |
