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.
@article{arxiv.2605.19603,
title = {Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling},
author = {Yasin Ameslon and Larry Lüer and Jens Harting and Olga Wodo and Olivier J. J. Ronsin},
journal= {arXiv preprint arXiv:2605.19603},
year = {2026}
}