Prof. Dr. Jianping Xiao studied his PhD at Bremen Center for Computational Materials Science, Universität Bremen, from 2 009 to 2013, co-supervised by Prof. Thomas Frauenheim and Prof. Thomas Heine. He then worked as a postdoc fellow with Prof. Xinhe Bao at Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Since 2015, he joined SUNCAT center led by Prof. Jens K. Nørskov at Stanford University. Since 2017, Prof. Xiao was appointed as assistant professor at Westlake University. After 2019, Prof. Xiao moved back to Dalian Institute of Chemical Physics, Chinese Academy of Sciences and been appointed as professor and the group leader in the group of Computation and Data Driven Catalysis (511). Recently his main research interests are developing methods for establishing reaction phase diagram to understand the evolution of activity, selectivity, and mechanism, also rationally design catalyst by artificial intelligence and machine learning techniques.
Education and Work Experiences
2019.01-Present Professor in Computation and Data Driven Catalysis Group (511),
State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics,Chinese Academy of Sciences;
2017.11-2018.12 Assistant Professor in Theoretical Chemistry,
School of Science, Westlake Institute for Advanced Study, Westlake University;
2015.11-2017.10 Postdoctoral Fellow with Prof. Jens K. Norskov,
Department of Chemical Engineering, Stanford University, SUNCAT Center;
2013.10-2015.10 Postdoctoral Fellow with Prof. Xinhe Bao,
State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics,Chinese Academy of Sciences;
2009.09-2013.09 PhD candidate with Prof. Thomas Frauenheim and Prof. Thomas Heine,
Bremen Center for Computational Materials Science, Universität Bremen;
2003.09-2009.06 Bachelor & Master in CMSE, Chongqing University, P.R. China.
Honors and Awards
2025.01-2029.12 National Science Fund for Distinguished Young Scholars
2024.08-2029.08 Excellent Da-Yu Zhang Scholar
2023.01-2023.12 Hundred-Talent Program (Chinese Academy of Sciences)
2022.01-2022.12 Lu Jiaxi Excellent Mentor Award
2021.04-2024.04 German Research Foundation Mercator Fellow
2020.01-2020.12 Liaoning BaiQianWan Talents Program
2020.01-2022.12 The Excellent Young Talents in Liaoning Province
2019.04-2024.04 Excellent Youth Da-Yu Zhang Scholar
2019.01-2022.12 National Science Fund for XXXX Talents Young Scholars
2013.10-2014.10 Excellent Postdoctoral Fellow
2013.10-2015.10 Outstanding Postdoctoral Award
2009.10-2013.09 China Scholarship Council
Research Interests
1 Reaction phase diagram
2 Microkinetic Modelling
3 Machine Learning
4 Energy and Environmental Catalysis
Representative Publications
1 Toward computational design of chemical reactions with reaction phase diagram,
WIREs Comput. Mol. Sci., 2021, 11, 5, e1514 (invited review).
2 Electrochemical synthesis of ammonia from nitric oxide using a copper-tin alloy catalyst,
Nat. Energy, 2023, 8, 1273-1283.
3 Direct electrochemical ammonia synthesis from nitric oxide,
Angew. Chem. Int. Ed., 2020, 59, 9711-9718.
4 Steering from electrochemical denitrification to ammonia synthesis,
Nat. Commun., 2023, 14: 112.
5 Enhancing the stability of cobalt spinel oxide towards sustainable oxygen evolution in acid,
Nat. Catal., 2022, 5, 109-118.
6 Understanding the product selectivity of syngas conversion on ZnO surfaces with complex reaction network and structural
evolution, ACS Catal., 2021, 11, 12264-12273.
7 Computational insights on structural sensitivity of cobalt in NO electroreduction to ammonia and hydroxylamine,
J. Am. Chem. Soc., 2024, 146, 13974-13982.
8 Computational insights for electrocatalytic synthesis of glycine,
ACS Catal. 2024, 14, 13381-13389.
9 Computational Insights on Electrocatalytic Synthesis of Methylamine from Nitrate and Carbon Dioxide,
ACS Catal., 2023, 13, 9925-9935.
10 Adaptive Electric Fields Embedded Electrochemical Barrier Calculations,
J. Phys. Chem. Lett., 2023, 14, 685-693.
