科研项目：
[1]重油加氢处理与催化裂化过程中的分子管理工程基础,国家自然科学基金重点项目,参与,2015/01-2018/12.
[2]纳米金颗粒在分子筛上空间位置的精确调控及其丙烯直接气相环氧化构效关系研究,国家自然科学基金青年项目，参与，2017/01-2019/12.
[3]新型异丁烷－丁烯烷基化分子筛催化剂的合成及反应稳定性强化机制研究,自主创新科研计划项目，参与,2018/1-2020/12.
代表性论文：
[1] Y.X. Liu, H. Yu, Y.Y. Fu, X.C. Liu, D.L. Guo,S. Li*, S. Tao, YC. Lyu, X.S. Wang*, H.L. Yu, S.T.Yu*, Effect of promoter in hierarchical hollow Pt/Beta catalysts on thehydrodeoxygenation of phenol.Fuel,2022, 317:123534. (SCI一区)
[2] Y.P. Du*, Y.X. Wang, C.T. Zhang, R.Z. Li, B.Wang,S. Li*,C.H. Yang*, Theoretical and experimental investigations into light alkanedehydrogenation over chromium-containing catalyst.Fuel, 2022, 320:123893. (SCI一区)
[3] Y.P. Du, X.P. Chen,S. Li, A.S. Berrouk, C.H. Yang, Revisiting a large-scale FCC riser reactor with a particle-scale model.Chemical Engineering Science, 2022, 249: 117300-117315. (化工权威期刊)
[4] Z. Liu, Z.W. Mao, X. Feng, Y.B. Liu, X.H. Zheng,S. Li, H. Zhu, C. Peng,C.H. Yang, Understanding the Diffusion Properties of Sulfur-ContainingCompounds in Mesoporous Alumina: A Molecular Dynamics Study.Industrial & Engineering Chemistry Research, 2022, 61: 3023-3030. (化工权威期刊)
[5]S. Li,J.L. Cao, X. Feng, Y.P. Du, C.H. Yang, W.Y. Xu, Computation-guided descriptor for efficient zeolite catalysts screening in C4 alkylation process.Chemical Engineering Science, 2021, 241: 116726-116735. (化工权威期刊)
[6]S. Li, J.L. Cao, X. Feng, Y.P. Du, D. Chen, C.H. Yang, W.H. Wang, W.Z. Ren, Insights into the confinement effect on isobutane alkylation with C4 olefin catalyzed by zeolite catalyst: A combined theoretical and experimental study.Chinese Journal of Chemical Engineering, doi.org/10.1016/j.cjche.2021.08.005. (IF:3.171,二区)
[7]S.Li, J.L. Cao, Y.B. Liu, X. Feng, X.B. Chen, C.H. Yang, Understanding the Effect of Acid Strength on the Alkane-Alkoxide Hydride Transfer Reaction over Solid Acid Catalysts: Insights from Density Functional Theory.Industrial & Engineering Chemistry Research, 2019, 58(22): 9314-9321. (化工权威期刊)
[8]S. Li, J.L. Cao, Y.B. Liu, X. Feng, X.B. Chen, C.H. Yang, Effect of acid strength on the formation mechanism of tertiary butyl carbocation in initial C4 alkylation reaction over H-BEA zeolite: A density functional theory study.CatalysisToday, 2020, 355: 171-179. (IF:6.766,二区)
[9]S. Li, Y.B. Liu, X. Feng, X.B. Chen, C.H. Yang, Insights into the reaction pathway of thiophene hydrodesulfurization over corner site of MoS2catalyst: A density functional theory study.Molecular Catalysis, 2019, 463: 45-53. (IF:5.062,二区)
[10]李硕,冯翔,杨朝合等,MoS2基催化剂加氢脱硫反应活性相和作用机理研究进展.化工进展,2019, 02:867-875. (EI收录)
[11]吴一敏,李硕,李春义,Li含量对Li/MgO丙烷氧化脱氢制烯烃反应催化性能的影响.燃料化学学报,2016, 44: 1334-1340. (EI收录)
[12]孙伟,李硕,刘熠斌,十氢萘催化裂化研究进展.炼油技术与工程,2015, 45:1-5.
