陈昕
办公地点:鼎新楼 609B
电子邮件: chenx@ustb.edu.cn
主讲课程:-
科研方向: 基于密度泛函理论/第一性原理的研究;催化反应的热力学/动力学机理研究
社会职务:-
2020.6 - 至今 北京科技大学 固体化学研究所 博士后/讲师 2016.9 - 2020.1 北京科技大学 化学与生物工程学院 理学博士 2011.8 - 2014.5 佐治亚理工学院(美国) 计算学院 2009.8 - 2011.8 佐治亚理工学院(美国) 地球与大气科学学院 理学硕士 2005.9 - 2009.7 北京大学物理学院 理学学士
通过DFT计算研究化学反应的热力学和动力学机理,通过第一性原理揭示催化反应的基元过程。研究成果在J. Am. Chem. Soc. 、Adv. Mater.、Small等学术期刊发表研究论文20余篇,主持国家自然科学基金青年项目各1项、中央基本科研业务费2项;作为骨干成员参与国家自然科学基金重大项目、国家重点研发计划项目各1项。 主要科研项目: (1)国家自然科学基金青年项目 (2)中央高校基本科研业务 (3)国家自然科学基金重大项目(骨干成员) (4)国家重点研发计划项目(骨干成员)
[1] 2009 佐治亚理工学院(美国) 地球与大气科学学院 新生奖学金. [2] 2005 北京大学 北京大学新生奖学金.
每年招收硕士研究生1名。
[1] Wu K, Chen X, Liu S, Pan Y, Cheong W C, Zhu W, Cao X, Shen R, Chen W, Luo J, Yan W. Porphyrin-like Fe-N4 sites with sulfur adjustment on hierarchical porous carbon for different rate-determining steps in oxygen reduction reaction. Nano Res., 2018, 11(12): 6260-6269. [2] Wang C, Chen X, Pan H, Qi D, Jiang J. Towards developing efficient aminopyridine-based electrochemical catalysts for CO2 reduction. A density functional theory study. J. Catal., 2019, 373: 75-80. [3] Chen X, Qi D, Liu C, Wang H, Xie Z, Chen T W, Chen S, Tseng T W, Jiang J. Conjugation extended sandwich phthalocyaninato compounds. RSC Adv., 2020, 10: 317-322. [4] Yang H, Zhang X, Yu Y, Chen Z, Liu Q, Li Y, Cheong WC, Qi D, Zhuang Z, Peng Q, Chen X*. Manganese vacancy-confined single-atom Ag in cryptomelane nanorods for efficient Wacker oxidation of styrene derivatives. Chem. Sci. 2021, 17: 6099-106. [5] Chen X, Wang C, Qi D, Xing X. A theoretical approach for homogeneous CO2 reduction by Ni (cyclam): substituents with intra-molecular hydrogen transfer. Inorg. Chem. Front., 2022, 11: 2691-6. [6] Li W, Lin K, Yan Y, Yu C, Cao Y, Chen X*, Wang CW, Kato K, Chen Y, An K, Zhang Q. A seawater‐corrosion‐resistant and isotropic zero thermal expansion (Zr, Ta)(Fe, Co)2 alloy. Adv. Mater., 2022, 34: 2109592. [7] Ji W, Wang N, Chen X*, Li Q, Lin K, Deng J, Chen J, Xing X. Effects of subsurface oxide on Cu1/CeO2 single-atom catalysts for CO oxidation: A theoretical investigation. Inorg. Chem., 2022, 26: 10006-14. [8]Xie Y, Chen X, Sun K, Zhang J, Lai WH, Liu H, Wang G. Direct Oxygen‐Oxygen Cleavage through Optimizing Interatomic Distances in Dual Single‐atom Electrocatalysts for Efficient Oxygen Reduction Reaction. Angew. Chem. Int. Ed., 2023, 17: e202301833. [9] Yang H, Wang X, Liu Q, Huang A, Zhang X, Yu Y, Zhuang Z, Li G, Li Y, Peng Q, Chen X*. Heterogeneous iridium single-atom molecular-like catalysis for epoxidation of ethylene. J. Am. Chem. Soc., 2023, 12: 6658-70. [10] Zhang Y, Zhang S, Ma J, Chen X*, Nan C, Chen C. Single‐Atom‐Mediated Spinel Octahedral Structures for Elevated Performances of Li‐Oxygen Batteries. Angew. Chem. Int. Ed., 2023, 15: e202218926. [11] Wang S, Zhuang Z, Chen X, Wang Y, Li X, Yang M, Wu Y, Peng Q, Chen C, Li Y. 3D Oxide‐Derived Ru Catalyst for Ultra‐Efficient Hydrogenation of Levulinic Acid to γ‐Valerolactone. Small, 2024, 7: 2306227. [12] Chen X, Xing X. Electronic structures of two-dimensional covalent organic frameworks based on a series of period 4 transition metal phthalocyanines and ethynyl moieties. Inorg. Chem. Front., 2024, 11: 5719-24.