Assoc. Prof. Dong Wang
Principal Investigator

S509 Meng Min Wei Sci & Tech Building
Department of Chemistry
Tsinghua University
Beijing 100084 P.R. China

  • Tel:


  • Email:


Ph.D. in Physical Chemistry, University of Science and Technology of China, 2000

B.S. in Chemical Physics, University of Science and Technology of China, 1995


Dong Wang is an Associate Professor of Chemistry at Tsinghua University. She received a B.S. in chemical physics (1995) and a Ph.D. in physical chemistry (2000) from the University of Science and Technology of China (USTC). She had six years’ postdoctoral experience at University of Michigan and University of Utah before joining the faculty of Tsinghua University in 2010. Dong Wang‘s group focuses on theory and modelling of emerging materials for electronic, thermoelectric, and optoelectronic applications. Her work up to date includes developing computational methods to model charge and thermal transport in organic, organic-inorganic perovskite and 2D materials, as well as simulation of supramolecular assembly in aqueous solution and on the surface of 2D materials.

Current Research and Research Interests

Prediction of high-performance organic thermoelectric materials, and strategies to improve thermoelectric conversion efficiency by band engineering, optimal doping, and tailoring molecular weight and crystallinity of polymeric materials.

Design of covalent organic frameworks and metal organic frameworks for electronic, spintronic, magnetic, and photocatalytic applications.

Innovation of van der Waals layered materials for ferroelectric and structural phase change memories.

Experimental collaborations to understand exotic phenomena, discover new mechanisms, and realize our predictions.

Selected Publications

H Yu and D Wang*. Metal-Free Magnetism in Chemically Doped Covalent Organic Frameworks, Journal of the American Chemical Society 2020, 25, 11013–11021 (Supplementary Cover).

Y Liu, W Shi, T Zhao, D Wang*, Z Shuai*. Boosting the Seebeck Coefficient for Organic Coordination Polymers: Role of Doping-Induced Polaron Band Formation, Journal of Physical Chemistry Letters 2019, 10, 2493-2499.

W Shi, Z Shuai, and D Wang*. Tuning Thermal Transport in Chain-Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study, Advanced Functional Materials 2017, 27, 1702847 (Inside Back Cover).

T Zhao, Y Sun, Z Shuai, and D Wang*. GeAs2: A IV-V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency, Chemistry of Materials 2017, 29, 6261-6268.

W Shi, T Zhao, J Xi, D Wang*, and Z Shuai*. Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties, Journal of the American Chemical Society 2015, 137, 12929-12938.