Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV23)
DOI: https://doi.org/10.29363/nanoge.hopv.2023.176
Publication date: 30th March 2023
Improvements in the molecular design of non-fullerene acceptors (NFAs) has almost doubled the power-conversion efficiency of organic photovoltaics in the last 5 years, from 11 to 19%.1 However, despite numerous studies, the exact molecular reasons behind why some acceptors (e.g. Y-series) perform better than others (e.g. ITIC-series) remain unclear.
Interestingly, recent studies have shown that some the most efficient non-fullerene acceptors (e.g. Y-series) can achieve relatively high charge-generation efficiency in the absence of a donor-acceptor interface.2 This challenges the current understanding of how photogenerated excitons dissociate into free charges in organic semiconductors. Understanding this phenomenon would raise interesting questions on whether a donor-acceptor interface is necessary for achieving high-efficiency solar cells, or whether a much simpler single-component system would suffice for efficient charge-generation, and what molecular design criteria might be required to synthesise NFAs with high charge-generation efficiency in such a single-component device. Uncovering these questions could have significant implications for the simplified design of organic photovoltaics, as well as photodetectors, solar fuel cells, and light-emitting diodes.
Here, we study the charge-generation processes in a series of NFA molecules in single-component devices, including A-DA′D-A-type acceptors (e.g. Y6) and A-D-A type acceptors (e.g. ITIC) using optoelectronic and spectroscopy characterisation methods under strong applied fields and at different temperatures. By combining experimental results with molecular and device-level calculations, we link exciton and charge dissociation efficiency in NFA films to molecular parameters such as reorganisation energy and electronic coupling and suggest molecular design rules for higher single-component as well as heterojunction device performance.
F. E., M.A. and J. N. acknowledge financial support from the European Research Council (action no. 742708).
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