WANG Yang Gang
Associate Professor

Dr. Yang-Gang Wang received his PhD in 2014 under the supervision of Prof. Jun Li at Tsinghua University. After that, he worked as a postdoctoral research fellow at Pacific Northwest National Laboratory (USA) under the supervision of Dr. Roger Rousseau and Dr. Vassiliki-Alexander Glezakou until 2016. He continued to work as a Humboldt research fellow at Fritz Haber Institute with Dr. Sergey Levchenko and Prof. Matthias Scheffler until 2018. He moved to Southern University of Science and Technology (SUSTech) in 2018 and started his independent research in the Department of Chemistry as an associate professor. His research interests focus on the fundamental understanding of catalysis by using first-principle theory calculations and molecular dynamics simulations. To date, he has published more than 40 research journal articles in catalysis, including 7 JACS, 2 PNAS, 2 Nat. Comm. and 4 ACS Catal..


Education & Work Experience

2018.9-Present  Department of Chemistry, SUSTech , Associate Professor

2016.8-2018.9   Fritz Haber Institute, Germany, Alexander von Humboldt Fellow

2014.3-2016.7   Pacific Northwest National Laboratory, USA ,  Postdoctoral Research Fellow

2011.8-2013.8   Pacific Northwest National Laboratory, USA, Visiting Student

2008.9-2014.1   Tsinghua University , Ph.D.

2004.9-2008.7   Beijing University of Chemical Technology, B.S.



[1] Liu J.-C.; Ma, X.-L.; Li, Y.; Wang, Y.-G.; Xiao, H.; Li, J.* Heterogeneous Fe3 Single-cluster Catalyst for Ammonia Synthesis via an Associative Mechanism. Nat. Comm., 2018, 9. 1610.

[2] He Y.; Liu J.-C.; Luo, L.; Wang, Y.-G.; Zhu, J.; Du, Y.; Li, J.*; Mao, S. X.*; Wang, C.* Size-Dependent Dynamic Structures of Supported Gold Nanoparticles in CO Oxidation Reaction Condition.  Pro. Nat. Aca. Sci., 2018, 115, 7700.

[3] Liu, J.-C.; Wang, Y.-G.*; Li, J*. Toward Rational Design of Oxide-Supported Single-Atom Catalysts: Atomic Dispersion of Gold on Ceria. J. Am. Chem. Soc., 2017,139, 6190.

[4] Wang, Z.-T.#; Wang, Y.-G.#; Mu, R.-T.;# Yoon, Y.; Dahal, A. P.; Schenter, G. K.; Lyubinetsky, I. Y.;* Glezakou, V.-A.; Rousseau, R.;*Dohnalek, Z.* Probing Equilibrium of Molecular and Deprotonated Water on TiO2(110). Pro. Nat. Aca. Sci., 2017, 114, 1801.

[5] Wang, Y.-G.; Cantu, D.; Lee, M.-S.; Li, J.; Glezakou, V.-A.; Rousseau, R*. CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways. J. Am. Chem. Soc., 2016, 138, 10467.

[6] Wang, Y.-G.; Mei, D.-H.; Li, J.*; Rousseau, R*. Dynamic Formation of Single-Atom Catalytic Active Sites on Ceria-supported Gold Nanoparticles. Nat. Comm., 2015, 6. 6511.

[7] Wang, Y.-G.; Yoon, Y.; Glezakou, V.-A.;Li, J .*; Rousseau, R.* The Role of Reducible Oxide/Metal Cluster Charge Transfer: New Insights on The Catalytic Mechanism of CO Oxidation on Au/TiO2 from Ab Initio Molecular Dynamics. J. Am. Chem. Soc., 2013, 135,10673.

[8] Xu, C.-Q.; Lee, M.-S.*; Wang, Y.-G.*; Cantu, D.; Li, J.*; Gleakzou, V.-A.; Rousseau, R. Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study. ACS. Nano., 2017, 11, 1649.

[9] Zhang, M.-L.#; Wang Y.-G.#; Chen, W.-X.#; Dong, J.-C.; Zheng, L.-R.; Wan, J.; Tian, S.; Cheong, W.-C.; Wang, D.-S.*; Li, Y.-D*.Metal (Hydr)oxides@Polymer Core–Shell Strategy to Metal Single-Atom Materials. J. Am. Chem. Soc., 2017, 139, 10976.

[10] Liu J.-C.; Tang, Y.; Chang, C.-R.*; Wang, Y.-G.*; Li, J.* Mechanistic Insights into Propene Epoxidation with O2–H2O Mixture on Au7/α-Al2O3: A Hydroproxyl Pathway from ab Initio Molecular Dynamics Simulations. ACS Catal., 2016, 6, 2525.

[11] Yoon, Y.; Wang, Y.-G.; Rousseau, R; Glezakou, V.A*. Impact of Nonadiabatic Charge Transfer on the Rate of Redox Chemistry of Carbon Oxides on Rutile TiO2(110) Surface. ACS Catal., 2015, 5, 1764.

[12] Cai, Q.; Wang, J.-G.*; Wang, Y.-G.; Mei, D*. Mechanistic Insights into the Structure Dependent Selectivity of Catalytic Furfural Conversion on Platinum Catalysts. AIChE J. , 2015, 61, 3812.

[13] Han, Z.-K.; Wang, Y.-G.*; Gao, Y*. Catalytic Role of Vacancy Diffusion in Ceria Supported Gold Catalyst. Chem. Comm., 2017, 53, 9125-9128.

[14] Tang, Y.; Wang, Y.-G.*; Li, J*. Theoretical Investigations of Pt1@CeO2 Single-Atom Catalyst for CO Oxidation. J. Phys. Chem. C, 2017, 121, 11281.

[15] Wang, Y.-G.; Mei, D.; Rousseau, R.*; Li, J*. DFT+U Study on the Localized Electronic States and Their Potential Role During H2O Dissociation and CO Oxidation Processes on CeO2(111) Surface. J. Phys. Chem. C, 2013, 117,23082.