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在职教师

许审镇

特聘研究员

邮箱:xushenzhen@pku.edu.cn

主页地址:https://faculty.pku.edu.cn/xushenzhen/zh_CN/index.htm


教育经历:

•清华大学物理系物理专业学士,2007 - 2011

•美国威斯康星大学麦迪逊分校材料科学博士, 2011 - 2017


工作经历:

•美国普林斯顿大学机械工程与航空航天系博士后, 2017 – 2020

•大阳城72138官网(中国)有限公司助理教授, 2020 – 至今


研究领域:

中文

电化学系统中质子-电子耦合表面反应的理论模拟方法开发,特别关注氢核量子效应和电子非绝热效应在电催化过程中作用的研究。

能量转化系统中(CO2还原、水分解、燃料电池)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。


英文

Theoretical methods development for modeling proton-coupled electron transfer processes in electrochemical systems, with specific interests in the nuclear quantum effect and the electronic non-adiabatic effect for understanding the PCET processes.

Ab-initiobased atomic-scale models for catalytic surface reactions in energy conversion systems (CO2reduction, water splitting, fuel cells).

Multiscale models for electrode/electrolyte interfaces in Li ion batteries.


荣誉与奖励:

2021年国家海外高层次人才引进计划青年项目


主要学术兼职:

2022年3月至今,北京科学智能研究院(AISI)顾问


近五年代表性论文(10篇或以内):

1. T. Hu, J. Tian, F. Dai, X. Wang, R. Wen*, S. Xu*, Impact of the Local Environment on Li Ion Transport in Inorganic Components of Solid Electrolyte Interphases, J. Am. Chem. Soc. 145, 1327-1333 (2023)

2. W. Chen, X. Wang*, S. Xu*, Investigation of intrinsic catalytic mechanism for NO oxidation to NO2 in CeO2 used for NO removal, Chem. Eng. J., 460, 141801, (2023)

3. Y. Liu, X. Ding, M. Chen, and S. Xu*, A Caveat of the Charge-Extrapolation Scheme for Modeling Electrochemical Reactions on Semiconductor Surfaces: An Issue Induced by a Discontinuous Fermi Level Change, Phys. Chem. Chem. Phys., 24, 15511-15521, (2022)

4. S. Xu*, B. Song, Surface-functionalized boron arsenide as a photocathode for CO2 reduction, J. Phys. Chem. C, 125, 21424-21433, (2021)

5. S. Xu, E. A. Carter*, CO2 Photoelectrochemical Reduction Catalyzed by a GaP(001) Photoelectrode, ACS Catal., 11, 1233-1241, (2021)

6. S. Xu, E. A. Carter*, Optimal functionalization of a molecular electrocatalyst for hydride transfer, PNAS, 116, 22953-22958, (2019)

7. S. Xu, E. A. Carter*, Balancing competing reactions in hydride transfer catalysis via catalyst surface doping: the ionization energy descriptor, J. Am. Chem. Soc., 141, 9895-9901, (2019)

8. S. Xu, E. A. Carter*, Theoretical insights into heterogeneous (photo)electrochemical CO2 reduction, Chem. Rev., 119, 6631-6669, (2019)