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arXiv · 2605.19603

Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling

Yasin Ameslon·Larry Lüer·Jens Harting·Olga Wodo·Olivier J. J. Ronsin
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Abstract

Understanding the relationship between morphology and performance in organic solar cells is essential for developing devices that are both high performing and resilient to aging. This work introduces a unique method capable of calculating the current-voltage (JV) curve of complex heterojunction morphologies containing up to five phases (donor amorphous, donor crystalline, acceptor amorphous, acceptor crystalline, mixed amorphous) with a very low computation time using morphology-aware descriptors of light absorption, exciton dissociation, non-geminate recombination and free charge carrier mobilities. The method is validated against Monte Carlo and 3D drift-diffusion simulations and applied to P3HT:PCBM and PM6:Y6 systems, shedding light on the physical compromises encountered to optimize device performance and lifetime. Finally, we show that the morphology-performance relationship is dependent on the materials system studied.

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Yasin Ameslon, Larry Lüer, Jens Harting, Olga Wodo, Olivier J. J. Ronsin. 2026-05-19. Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling. https://arxiv.org/abs/2605.19603

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