Tonghui Wang

Research Scientists & Postdocs

Tonghui obtained his Ph.D. degree in Jun. 2014 at Jilin University (Changchun, P.R. China), majoring in Materials Science. In Aug. 2014, he joined in Prof. Brédas group as a post-doc at Solar & Photovoltaics Engineering Research Center, King Abdullah University of Science & Technology (Thuwal, Kingdom of Saudi Arabia). In Feb. 2017, Tonghui moved from the King Abdullah University of Science & Technology (KAUST) to the Georgia Institute of Technology as post-doc in Prof. Brédas group. During his  Ph.D. period, he focused on the thermodynamics and molecular dynamics studies of molecular self-assembly and orientation transformation on substrate, as well as density functional theory studies on surface, interface, molecular structure, and electronic properties of material systems. During Tonghui's postdoctoral period in KAUST, he focused on the molecular dynamics simulations of the interface structures between fullerene derivatives and donor-acceptor type polymers with different kinds of side-chains to understand the effects of side-chains on the their packing in the blends.

Research Interests:

Molecular dynamics simulations of the mixing and packing between polymer donor and fullerene or non-fullerene acceptor in donor:acceptor blend as well as the relevant Flory–Huggins interaction parameter c to understand the morphology-performance relation of the OPV systems.


  1. T. Wang, M.K. Ravva, J.-L. Brédas, “Impact of the nature of the side-chains on the polymer-fullerene packing in the mixed regions of bulk heterojunction solar cells”, Advanced Functional Materials, 2016, 26, 5913-5921.
  2. M.K. Ravva, T. Wang, J.-L. Brédas, “Nature of the binding interactions between conjugated polymer chains and fullerenes in bulk heterojunction organic solar cells”, Chemistry of Materials, 2016, 28, 8181-8189.