Available on-demand - *S.EL14.06.01
Advances in the Theoretical Description of Nonfullerene-Based Organic Solar Cells
Georgia Institute of Technology1,The University of Arizona2
The field of organic photovoltaics is currently enjoying a major resurgence thanks to the development of increasingly performant combinations of polymer donors and nonfullerene-based acceptors. Power conversation efficiencies now approach the 18% mark in single-junction devices.
In this contribution, we will provide a theoretical description of of the factors that have enabled such advances, including:
- hybridization of the strongly absorbing local-exciton electronic states with the charge-transfer electronic states appearing at the donor-acceptor interfaces [1-2];
- minimization of the voltage losses through reduction of the nonradiative recombination pathways ; and
- extent of order in the nonfullerene acceptor domains [4-5].
This work is supported by the Office of Naval Research.
 “Assessing the Nature of the Charge-Transfer Electronic States in Organic Solar Cells”, X.K. Chen, V. Coropceanu, and J.L. Brédas, Nature Communications, 9, DOI: 10.1038/s41467-018-07707-8 (2018).
 “Charge-Transfer Electronic States in Organic Solar Cells”, V. Coropceanu, X.K. Chen, T. Wang, Z. Zheng, and J.L. Brédas, Nature Reviews Materials, DOI: 10.1038/s41578-019-0137-9 (2019)
 “Design Rules for Minimizing Voltage Losses in High-Efficiency Organic Solar Cells”, D. Qian, Z. Zheng, H. Yao, W. Tress, T.R. Hopper, S. Chen, S. Li, J. Liu, S. Chen, J. Zhang, X.K. Liu, B. Gao, L. Ouyang, Y. Jin, G. Pozina, I. Buyanova, W. Chen, O. Inganäs, V. Coropceanu, J.L. Brédas, H. Yan, J. Hou, F. Zhang, A.A. Bakulin, and F. Gao, Nature Materials, 17, 703-709 (2018).
 “Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors”, G. Kupgan, X.K. Chen, and J.L. Brédas, ACS Materials Letters, 1, 350-353 (2019).
 "An Extended Three-Dimensional Molecular Packing Structure Enables Highly Efficient Organic Solar Cells", G. Zhang, X.K.ai Chen, J. Xiao1, P.C.Y. Chow, X. Jiao, G. Kupgan, C.C.S. Chan, X. Du, M. Ren, R. Xia, Z. Chen, J. Yuan, Y. Zhang, S. Zhang, Y. Liu, Y. Zou, H. Yan, K.S. Wong, V. Coropceanu, N. Li, C.J. Brabec, J.L. Bredas, H.-L. Yip, and Y. Cao, submitted for publication (2019).