Xiao, Hai

Associate Professor

Office: S519, Mong Man Wai Building of Science and Technology

Phone: +86-10-62786113

Email: haixiao@tsinghua.edu.cn

Group Website: xiaogroup.org

ORCID: 0000-0001-9399-1584


2002/09 – 2006/07

Tsinghua University


2006/09 – 2008/07

Tsinghua University


2008/09 – 2015/03

California Institute of Technology (Caltech)


Professional Experience

2015/04 – 2016/03

California Institute of   Technology (Caltech)

Postdoctoral Scholar

2016/04 – 2018/06

California Institute of   Technology (Caltech)

Research Scientist

2017/09 – 2018/06

Tsinghua University

Assistant Professor

2018/06 – current

Tsinghua University

Associate Professor

Research Interests

Theoretical and Computational Chemistry; Theoretical Design of Heterogeneous Catalytic Systems; Catalysis at Electrochemical Interfaces

Selected Publications

1.JC Liu, H Xiao*, and J Li*. Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy. J. Am. Chem. Soc. 2020, 142, 3375.

2.K Harrath, X Yu, H Xiao*, and J Li*. The Key Role of Support Surface Hydrogenation in the CH4 to CH3OH Selective Oxidation by a ZrO2-Supported Single-Atom Catalyst. ACS Catal. 2019, 9, 8903.

3.XL Ma, JC Liu, H Xiao*, and J Li*. Surface Single-Cluster Catalyst for N2-to-NH3 Thermal Conversion. J. Am. Chem. Soc. 2018, 140, 46.

4.H Xiao, H Shin, WA Goddard III*. Synergy between Fe and Ni in the Optimal Performance of (Ni,Fe)OOH Catalysts for the Oxygen Evolution Reaction. Proc. Natl. Acad. Sci. USA 2018, 115, 5872.

5.H Xiao, WA Goddard III*, T Cheng, and Y Liu. Cu Metal Embedded in Oxidized Matrix Catalyst to Promote CO2 Activation and CO Dimerization for Electrochemical Reduction of CO2. Proc. Natl. Acad. Sci. USA 2017, 114, 6685.

6.H Xiao, T Cheng, and WA Goddard III*. Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111). J. Am. Chem. Soc. 2017, 139, 130.

7.H Xiao, T Cheng, WA Goddard III*, and R Sundararaman. Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu(111). J. Am. Chem. Soc. 2016, 138, 483.