Areas of Focus
- 电化学系统中质子-电子耦合表面反应的理论模拟方法
- 能量转化系统中表面催化反应机理的第一性原理模拟
- 锂电池体系中电极/电解液界面的多尺度模拟
Work Experience
- 2017–2020 博士后，美国普林斯顿大学机械工程与航空航天系
- 2020–至今 助理教授，北京大学材料学院
Academic Background & Achievements
- 2007–2011 物理学士：清华大学
- 2011–2017 材料科学博士：美国威斯康星大学麦迪逊分校
Publications
- Unraveling the Complete Mechanism of the NH3 Selective Catalytic Reduction of NO over CeO2, W. Chen, S. Xu*, 2023
- Constrained Hybrid Monte Carlo Sampling Made Simple for Chemical Reaction Simulations, B. Jin, T. Hu, K. Yu, S. Xu*, 2023
- Theoretical Study on Improving the CO2 Reduction Performance of the Cu2ZnGeS4 Photoelectrode via Doping and Surface Engineering, M. Sun, S. Xu*, 2023
- Unraveling the Atomic-scale Mechanism of Phase Transformations and Structural Evolutions during (de)Lithiation in Si Anodes, F. Fu, X. Wang, L. Zhang, Y. Yang, J. Chen, B. Xu, C. Ouyang*, S. Xu*, F.Z. Dai*, W. E., 2023
- Unraveling the Dynamic Correlations between Transition Metal Migrations and the Oxygen Dimer Formation in the Highly Delithiated LixCoO2 Cathode, T. Hu, F. Dai, G. Zhou, X. Wang, S. Xu*, 2023
- Investigation of intrinsic catalytic mechanism for NO oxidation to NO2 in CeO2 used for NO removal, W. Chen, X. Wang*, S. Xu*, 2023
- Impact of the Local Environment on Li Ion Transport in Inorganic Components of Solid Electrolyte Interphases, T. Hu, J. Tian, F. Dai, X. Wang, R. Wen*, S. Xu*, 2023
- A Caveat of the Charge-Extrapolation Scheme for Modeling Electrochemical Reactions on Semiconductor Surfaces: An Issue Induced by a Discontinuous Fermi Level Change, Y. Liu, X. Ding, M. Chen, and S. Xu*, 2022
- CO2 Photoelectrochemical Reduction Catalyzed by a GaP(001) Photoelectrode, S. Xu, E. A. Carter*, 2021
- Balancing competing reactions in hydride transfer catalysis via catalyst surface doping: the ionization energy descriptor, S. Xu, E. A. Carter*, 2019
Awards
- 2021年 国家海外高层次人才引进计划青年项目
