Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866916027621703680 |
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| author | Ameslon, Yasin Lüer, Larry Harting, Jens Wodo, Olga Ronsin, Olivier J. J. |
| author_facet | Ameslon, Yasin Lüer, Larry Harting, Jens Wodo, Olga Ronsin, Olivier J. J. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_19603 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling Ameslon, Yasin Lüer, Larry Harting, Jens Wodo, Olga Ronsin, Olivier J. J. Materials Science Computational Physics 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. |
| title | Predicting Organic Solar Cell Performance and Stability from Fast, Morphology-aware Current-Voltage Modeling |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2605.19603 |