Molecular Understanding of Fullerene - Electron Donor Interactions in Organic Solar Cells
KAUST DepartmentLaboratory for Computational and Theoretical Chemistry of Advanced Materials
Physical Sciences and Engineering (PSE) Division
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AbstractOrganic solar cells hold promise of providing low-cost, renewable power generation, with current devices providing up to 13% power conversion efficiency. The rational design of more performant systems requires an in-depth understanding of the interactions between the electron donating and electron accepting materials within the active layers of these devices. Here, we explore works that give insight into the intermolecular interactions between electron donors and electron acceptors, and the impact of molecular orientations and environment on these interactions. We highlight, from a theoretical standpoint, the effects of intermolecular interactions on the stability of charge carriers at the donor/acceptor interface and in the bulk and how these interactions influence the nature of the charge transfer states as wells as the charge separation and charge transport processes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
CitationRyno SM, Ravva MK, Chen X, Li H, Brédas J-L (2016) Molecular Understanding of Fullerene - Electron Donor Interactions in Organic Solar Cells. Advanced Energy Materials: 1601370. Available: http://dx.doi.org/10.1002/aenm.201601370.
SponsorsThis work has been supported by competitive research funding at King Abdullah University of Science and Technology (KAUST) and by ONR Global (Award N62909-15-1-2003). We thank KAUST IT Research Computing and the KAUST Supercomputing Laboratory for providing continuous assistance as well as ample computational and storage resources. S.R. thanks Dr. Tonghui Wang for providing structures for the Table of Contents graphic.
JournalAdvanced Energy Materials