Professor | Xu Shenzhen | Asia Growth Partners

Name	Xu Shenzhen
Contact Information	xushenzhen@pku.edu.cn
Language ability	Chinese, English
Province	Beijing

Name

Xu Shenzhen

Contact Information

xushenzhen@pku.edu.cn

Language ability

Chinese, English

Province

Beijing

University/Lab Affiliation and Title	Peking University
Faculty	Materials Science and Engineering
Academic Background & Achievements	2007–2011 Bachelor in Physics: Tsinghua University 2011–2017 PhD in Material Science: University of Wisconsin-Madison
Work Experience	2017–2020 Postdoctoral Researcher, Department of Mechanical Engineering and Aerospace, Princeton University 2020–Present Assistant Professor, School of Materials Science, Peking University
Awards	2021 National Overseas High-Level Talents Introduction Plan for Young Professionals

University/Lab Affiliation and Title

Peking University

Faculty

Materials Science and Engineering

Academic Background & Achievements

2007–2011 Bachelor in Physics: Tsinghua University
2011–2017 PhD in Material Science: University of Wisconsin-Madison

Work Experience

2017–2020 Postdoctoral Researcher, Department of Mechanical Engineering and Aerospace, Princeton University
2020–Present Assistant Professor, School of Materials Science, Peking University

Awards

2021 National Overseas High-Level Talents Introduction Plan for Young Professionals

Areas of Focus	Theoretical simulation methods for proton-coupled electron transfer in electrochemical systems First-principles simulation of catalytic reactions in energy conversion systems Multiscale simulation of electrode/electrolyte interfaces in lithium-ion batteries
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

Areas of Focus

Theoretical simulation methods for proton-coupled electron transfer in electrochemical systems
First-principles simulation of catalytic reactions in energy conversion systems
Multiscale simulation of electrode/electrolyte interfaces in lithium-ion batteries

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

Proton-Coupled Electron Transfer Electrochemical Systems Nuclear Quantum Effects Non-Adiabatic Effects Electrocatalysis Co2 Reduction Water Splitting Fuel Cells Lithium-Ion Batteries Multiscale Modeling

Yaoyu Ren - Tsinghua University

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