Jianping Xiao

From:WIAS      Date:2017-09-04     Viewed:541 times

Jianping Xiao,Ph. D. 



“Scientific research is to discover unknown and interesting nature, so it worths to choose an uncertainty in your future.”



Dr. Jianping Xiao received his Bachelor and Master Degrees from Chongqing University in 2007 and 2009, respectively; and PhD degree at Bremen University in the field of computational materials science under the supervision of Prof. Thomas Frauenheim and Prof. Thomas Heine in 2013, then working as postdoctoral fellow with Prof. Xinhe Bao at Dalian Institute of Chemical Physics from 2013 to 2015, and with Prof. Jens K. Nørskov at Stanford University from 2015 to 2017. Since Nov 2017, Dr Xiao joined the Westlake Institute for Advanced Study.


The research in Dr. Jianping Xiao’s group is on the basis of first-principle density functional theory calculations to investigate the structural and electronic properties of materials on the surface and interface. The major focus is to understanding chemical reactions and catalysis (heterogeneous catalysis, electrocatalysis, and photo-catalysis) related with energy conversion and storage. Recently, his research is trying to understand the potential-dependence of reaction energies and activation energies in carbon dioxide electroreduction. Particularly, the activity and selectivity of CO reduction (including hydrocarbon and oxygenate productions) versus hydrogen evolution. The future research focus will be on the following subjects

1.to study the structural and activity evolution in working conditions.

2.to find out the correlations among activity, selectivity, and stability of catalytic process, also the simple and effective ways of understanding these properties.

3.machine-learning and self-learning microkinetic modelling


Representative Publications

1. Understanding Trends in Electrochemical CO2 Reduction Rates,

[X. Liu, J. Xiao], H. Peng, X. Hong, K. Chan, J.K. Nørskov

Nature Commun., 8, 15438, 2017 (IF = 11.3).


2.Stabilization Mechanism of ZnO Nanoparticles by Fe Doping,

J. Xiao, A. Kuc, T. Frauenheim, T. Heine,

Phys. Rev. Lett., 2014, 112, 106102/1-106102/5 (IF = 7.6).


3.Toward Fundamentals of Confined Catalysis in Carbon Nanotubes,

J. Xiao, X. Pan, S. Guo, P. Ren, X. Bao,

J. Am. Chem. Soc., 2015, 137, 477-482. (IF = 13.0) (spotlight article).

4. A Graphene Composite Material with Single Cobalt Active Sites: A Highly Efficient Counter Electrode for Dye-Sensitized Solar Cells,

 [X. Cui, J. Xiao] Y. Wu, P. Du, R. Si, H. Yang, H. Tian, J. Li, W. Zhang, D. Deng, X. Bao,

Angew. Chem. Int. Ed. 2016, 55, 6708-6712. (IF=11.7) (Inside-Back-Cover).


5. Size-dependence of Carbon Nanotube Confinement in Catalysis,

J. Xiao, X. Pan, F. Zhang, H. Li, X. Bao,

Chem. Sci., 8, 278-283, 2017 (IF = 9.1).


6.Towards Rational Design of Catalysts Supported on a Topological Insulator Substrate

J. Xiao, L. Kou, C. Y. Yam, T. Frauenheim, B. Yan,

ACS catalysis, 2015, 5 (12), 7063-7067 (IF = 9.3).


7. Evidence for Fe2+ in Wurtzite Coordination: Iron Doping Stabilizes ZnO Nanoparticles,

J. Xiao, A. Kuc, S. Pokhrel, M. Schowalter, S. Porlapalli, A. Rosenauer,

T. Frauenheim, L. Mädler, L. G.M. Pettersson, T. Heine,

Small, 2011 (7) 2879–2886. (IF = 8.3) (Frontispiece).


8.Visualizing Electronic Interactions Between Iron and Carbon by X-ray Chemical Imaging and Spectroscopy,

[X. Chen, J. Xiao], J. Wang, D. Deng, Y. Hu, J. Zhou, L. Yu, T. Heine, X. Pan, X. Bao,

Chem. Sci., 2015, 6, 3262-3267. (IF = 9.1).


9. Activity and Synergy Effects on a Cu/ZnO(0001) Surface Studied Using First-Principle Thermodynamics,

J. Xiao and T. Frauenheim,

J. Phys. Chem. Lett., 2012 (3) 2638−2642. (IF = 8.5).


10.CO2 Reduction at Low Overpotential on Cu Electrodes in the Presence of Impurities at Subsurface

J. Xiao, A. Kuc, T. Frauenheim, T. Heine,

J. Mater. Chem. A, 2014, 2, 4885 – 4889 (IF = 8.3).


Email: jxiao@wias.org.cn