科研项目: (1) 碱金属助剂对钴基催化剂结构及产物选择性影响的研究(国家自然科学基金),2019.01-2021.12,主持 (2) 钴基催化剂表面费托合成反应中CO活化机理的理论研究(山东省自然科学基金),2018.04-2020.12,主持 (3) 费托小分子CO、H2、CO2、CH4和H2O在第八族过渡金属催化剂表面的活化与反应机理(国家自然科学基金),2017.01-2020.12,参与 代表性论文: [1] Liu, S. L.*; Cheng, J. B; Li, Q. Z.; Li, W. Z.Gas-phase Activation of Methane with PtOH+.Computational and Theoretical Chemistry, 2018, 1145, 54-59. [2] Liu, S. L.; Li, Y.-W.; Wang J.; Jiao, H. Reaction of CO, H2O, H2 and CO2 on the clean as well as O, OH and H pre-covered Fe(100) and Fe(111) Surfaces. Catal. Sci. Technol. 2017, 7, 427-440. [3]Liu, S. L.; Li, Y.-W.; Wang J.; Jiao, H. Mechanisms of H- and OH-assisted CO activation as well as C-C coupling on the flat Co(0001) surface – Revisited. Catal. Sci. Technol. 2016, 6, 8336-8343. [4]Liu, S. L.; Li, Y.-W.; Wang J.; Jiao, H. Mechanisms of H2O and CO2 Formation from Surface Oxygen Reduction on Co(0001). J. Phys. Chem. C 2016, 120, 19265-19270. [5]Liu, S. L.; Li, Y.-W.; Wang J.; Jiao, H. Reactions of CO, H2O, CO2 and H2 on the Clean and Pre-Covered Fe(110) Surfaces – A DFT Investigation. J. Phys. Chem. C 2015, 119, 28377–28388. [6]Liu, S. L.; Tian, X. X.; Wang, T.; Wen, X. D.; Li, Y.-W.; Wang J.; Jiao, H. Coverage Dependent Water Dissociative Adsorption on the Clean and O-pre-covered Fe(111) Surfaces. J. Phys. Chem. C 2015, 119, 11714-11724. [7]Liu, S. L.; Tian, X. X.; Wang, T.; Wen, X. D.; Li, Y.-W.; Wang J.; Jiao, H. Coverage Dependent Water Dissociative Adsorption on Fe(110) from DFT Computation. Phys. Chem. Chem. Phys. 2015, 17, 8811-8821. [8]Liu, S. L.; Tian, X. X.; Wang, T.; Wen, X. D.; Li, Y.-W.; Wang J.; Jiao, H. High Coverage Water Aggregation and Dissociation on Fe(100): A Computational Analysis. J. Phys. Chem. C 2014, 118, 26139-26154. [9]Liu, S. L.; Geng, Z. Y; Wang, Y. C.; Yan, Y. F. Density Functional Studies of Thermal Activation of Methane by Gas-Phase [Pt(H)(OH)]+, Computational and Theoretical Chemistry, 2012, 980, 32-36. [10]Liu, S. L.; Geng, Z. Y; Wang, Y. C.; Yan, Y. F. Methane Activation by MH+ (M = Os, Ir and Pt) and Comparisons to the Congeners of MH+ (M = Fe, Co, Ni; and Ru, Rh, Pd), J. Phys. Chem.A 2012, 116, 4560-4568. [11]Liu, S. L.; Geng, Z. Y; Wang, Y. C.; Yan, Y. F. DFT Studies for Dehydrogenation of Methane by Gas-phase Ru+, Computational and Theoretical Chemistry, 2011, 977, 44-49. |