精细化工

量子化学，催化反应机理

[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.

[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。