Associate Professor

Address:Tsinghua University, Center for Combustion Energy, Beijing 100084, China
Office:Lee Shau Kee Science and Technology Building B-533

Education Background

Ph.D.           Chemistry, University of Texas at Austin, USA (2014)

B.S.             Chemical Physics, University of Science and Technology of China (2009)

Work Experiences

Assistant Professor, Center for Combustion Energy, Tsinghua University (2019.08 to present)

Assistant Professor, Chemical and Biomolecular Engineering, University of Connecticut (2018-2019)

Postdoc Researcher, Chemical and Biomolecular Engineering, University of Pennsylvania (2016-2018)

Postdoc Researcher, Chemical and Biomolecular Engineering, Stanford University (2015-2016)

Postdoc Researcher, Chemistry, University of Texas at Austin (2014-2015)

Other Professional Positions


Research Areas and Interests

Theoretical and Computational Catalysis
First Principal Simulation
Computational Design of New Energy Materials
Simulation of Surface Chemical Process
Accelerated Molecular Dynamics

Honors and Awards


Books and Patents


Journal Publications

Selected Journal Articles:

1.Wang, W.; Chen, S.; Wang, X.; Rosen, A.; Beatrez, W.; Sztaberek, L.; Tan, H.;Zhang, L.*Koenigsmann, C.*; Zhao, J.*; “Composition-Dependent Oxygen Reduction Reaction Activity of Pt-Surfaced PtNi Dodecahedral Nanoframes”ACS Appl. Energy Mater.2020, 3, 1, 768-776

2.Akbashev, A. R.#;Zhang, L.#.; Mefford, J. T.; Park, J.; Butz, B.; Luftman, H.; Chueh, W. C.; Vojvodic, A. Activation of Ultrathin SrTiO3with Subsurface SrRuO 3 for the Oxygen Evolution Reaction.Energy Environ. Sci.2018,11(7), 1762–1769.

3.Shin, K.#;Zhang, L.#; An, H.; Ha, H.; Yoo, M.; Lee, H. M.; Henkelman, G.; Kim, H. Y. “Interface Engineering for A Rational Design of Poison-free Bimetallic CO Oxidation Catalysts”,Nanoscale,2017, 9, 5244-5253.

4.Zhang, L.; Chill, S.; Henkelman, G. “Distributed Replica Dynamics”,J. Chem. Phys.,2015,143, 174112.

5.Luo, L.#;Zhang, L.#; Henkelman, G.; Crooks R. M. “Unusual Activity Trend for CO Oxidation on PdxAu140-x@Pt Core@shell Nanoparticle Electrocatalysts”,J. Phys. Chem. Lett.,2015,6, 2562-2568.

6.Zhang, L.; Anderson, R. M; Crooks R. M; Henkelman, G. “Correlating Structure and Function of Metal Nanoparticles for Catalysis”,Surf. Sci.,2015,640, 65-72.

7.Zhang, L.; Henkelman, G. “Computational Design of Alloy-Core@Shell Metal Nanoparticle Catalysts”,ACS Catal.,2015,5, 655-660.

8.Mullen, G. M.;Zhang, L.; Evans, E. J. Jr; Yan, T; Henkelman, G.; Mullins, C. B. “Oxygen and Hydroxyl Species Induce Multiple Reaction Pathways for the Partial Oxidation of Allyl Alcohol on Gold”,J. Am. Chem. Soc.,2014,136(17) 6489-6498.

9.Garcia, S.;Zhang, L.;Piburn, G. W.; Henkelman, G.; Humphrey, S. M. “Microwave Synthesis of Classically Immiscible Rhodium-Silver and Rhodium-Gold Alloy Nanoparticles: Highly Active Hydrogenation Catalysts”,ACS Nano,2014,8, 11512-11521.

10.Zhang, L.and Henkelman, G. “Design of Pt-shell Nanoparticles with Alloy Cores for the Oxygen Reduction Reaction”,ACS Nano,2013,7, 9168-9172.

11.Zhang, L.;Kim, H. Y.; Henkelman, G. “CO Oxidation at the Au-Cu Interface of Bimetallic Nanoclusters Supported on CeO2(111)”,J. Phys. Chem. Lett.,2013, 4, 2943-2947.

12.Iyyamperumal, R.;Zhang, L.;Henkelman, G.; Crooks, R. M. “Efficient Electrocatalytic Oxidation of Formic Acid Using Au@Pt Dendrimer Encapsulated Nanoparticles”,J. Am. Chem. Soc.,2013, 135, 5521-5524.

Address: Room 511, Lee Shau Kee Science and Technology Building, Tsinghua University, Haidian Dist., Beijing, China 100084
Tel:(+86) 010-627-98267

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