Zilong Zheng

Research Scientists & Postdocs

Zilong Zheng is from Beijing, China. He received his Ph.D. degree in Department of Chemical Physics from University of Science and Technology of China (USTC) in 2012. Zilong joined Prof. Bredas’group as a postdoc in Aug 2014.

 Research interests

Ab initio modeling of excitons in functional molecules for their applications in photonic and photovoltaic devices.

Development of predictive models and methods for exploring and understanding charge transfer (CT) states, which play a major role in both exciton dissociation and charge recombination processes in organic photovoltaic (OPV) devices.

Understand intersystem crossing rates between singlet and triplet CT states, which can provide a better understanding of the spin-dependent charge-recombination processes in donor/acceptor heterojunctions.

  • Dissipative Particles Method (DPD) to the study the morphology in OPV devices, which is a method used for systems in scale between atomistic and macroscopic sizes. The primary advantage of DPD is its faster simulation times compared to traditional molecular dynamics


Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

Naga Rajesh Tummala, Zilong Zheng, Saadullah G. Aziz, Veaceslav Coropceanu, and Jean-Luc Brédas

J. Phys. Chem. Lett., 2015, 6 (18), pp 3657–3662

Description of the charge transfer states at the pentacene/C60 interface: combining range separated hybrid functionals with the polarizable continuum model.

Zilong Zheng, Jean-Luc Brédas, and Veaceslav Coropceanu

J. Phys. Chem. Lett., 2016, 7 (13), pp 2616–2621

Charge-transfer states in organic solar cells: understanding the impact of polarization, delocalization, and disorder.

Zilong Zheng, Naga Rajesh Tummala, Yao-Tsung Fu, Veaceslav Coropceanu, and Jean-Luc Brédas