Publication date: 15th December 2025
Recently, non-fused ring acceptors (NFRAs) are becoming increasingly attractive because of their competitive power conversion efficiencies and low synthetic complexity. However, the relationship between molecular structure and photophysics that governs their performance remains insufficiently understood. In this study[1], we resolve device-physics with optical spectroscopic measurements and analytical modeling to identify the structural levers that control exciton dissociation and recombination in NFRA-based devices. We find that increasing side-chain chlorination of NFRAs improves intermolecular aggregation, which gives direct benefit to charge transport and suppressed bimolecular recombination in blend films. In such blends, the charge-transfer state energy is further reduced from the optical gap, enabling highly efficient free charge generation at the cost of very low electroluminescence yields. Among the investigated systems, the partially chlorinated NFRA-based blend achieves the best balance between exciton dissociation efficiency and suppression of non-radiative recombination, resulting in the highest overall device efficiency. This study emphasizes the pivotal role of side-chain halogenation in fine-tuning molecular packing and charge dynamics, and offers guidelines for the next generation of photovoltaic materials with synthetic scalability.
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