密度泛函理论计算：金属氧化物催化剂及分子筛催化剂表面二氧化碳加氢反应机理研究

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2008.09-2012.06 中国矿业大学 化工学院 学士学位

2012.09-2014.06 中国矿业大学 化工学院 硕士学位

2017.09-2021.06 中国科学院上海高等研究院 低碳转化科学与工程中心 博士学位

2021.07至今 南开大学 材料科学与工程学院 讲师

[1] Qin B., Li S. G.*, First principles investigation of dissociative adsorption of H₂ during CO₂ hydrogenation over cubic and hexagonal In₂O₃ catalysts. Phys. Chem. Chem. Phys. 2020, 22(6): 3390-3399.

[2] Dang S. S.^†, Qin B.^†,Yang Y., Wang H., Cai J., Han Y., Li S. G.*, Gao P.*, Sun Y. H.*, Rationally designed indium oxide catalysts for CO₂ hydrogenation to methanol with high activity and selectivity. Sci. Adv. 2020, 6(25): eaaz2060. (co-author)

[3] Qin B., Zhou Z. M., Li S. G.^*, Gao P.^*, Understanding the structure-performance relationship of cubic In₂O₃ catalysts for CO₂ hydrogenation. J. CO2 Util. 2021, 49, 101543.

[4] Qin B., Zhou Z. M., Li S. G.^*, Reaction pathways and the role of the carbonates during CO₂ hydrogenation over hexagonal In₂O₃ catalysts. Appl. Surf. Sci. 2021, 542, 148591.

[5] Zhou Z. M., Qin B., Li S. G.*, Sun Y. H., A DFT-based microkinetic study on methanol synthesis from CO₂ hydrogenation over the In₂O₃ catalyst. Phys. Chem. Chem. Phys. 2021, 23(3), 1888-1895.