Unlocking High-Throughput Heterojunction Discovery
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arXiv
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| Main Authors: | , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866915550857265152 |
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| author | Gries, Thomas W. Regaldo, Davide Duan, Yanyan Scheler, Florian Simmonds, Maxim Stacchini, Valerio Petrozza, Annamaria Unger, Eva Abate, Antonio Kleider, Jean-Paul Musiienko, Artem |
| author_facet | Gries, Thomas W. Regaldo, Davide Duan, Yanyan Scheler, Florian Simmonds, Maxim Stacchini, Valerio Petrozza, Annamaria Unger, Eva Abate, Antonio Kleider, Jean-Paul Musiienko, Artem |
| contents | Photoluminescence (PL) is a ubiquitous proxy for material quality in optoelectronic devices, widely used for high-throughput materials discovery. However, we demonstrate that in the presence of charge-selective contacts, PL loses its predictive reliability and can exhibit strong quenching even in highly efficient photovoltaic devices under open-circuit conditions. By combining steady-state and transient PL with contactless transient surface photovoltage measurements we disentangle the intertwined processes of extraction and recombination, clarifying the physical origin of this phenomenon. This joint approach reveals extraction dynamics not captured by PL alone. A digital replica of the interface shows that Coulomb attraction and interfacial recombination are the fundamental mechanisms driving quenching after charge extraction. Based on these insights, we present a decision tree for heterojunction classification and PL interpretation applicable across diverse optoelectronic systems, including photovoltaics, photodetectors, and LEDs. Our approach supports systematic screening and optimization of half-devices, bridging the gap between accelerated materials discovery and accelerated device discovery. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_11548 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Unlocking High-Throughput Heterojunction Discovery Gries, Thomas W. Regaldo, Davide Duan, Yanyan Scheler, Florian Simmonds, Maxim Stacchini, Valerio Petrozza, Annamaria Unger, Eva Abate, Antonio Kleider, Jean-Paul Musiienko, Artem Applied Physics Materials Science Photoluminescence (PL) is a ubiquitous proxy for material quality in optoelectronic devices, widely used for high-throughput materials discovery. However, we demonstrate that in the presence of charge-selective contacts, PL loses its predictive reliability and can exhibit strong quenching even in highly efficient photovoltaic devices under open-circuit conditions. By combining steady-state and transient PL with contactless transient surface photovoltage measurements we disentangle the intertwined processes of extraction and recombination, clarifying the physical origin of this phenomenon. This joint approach reveals extraction dynamics not captured by PL alone. A digital replica of the interface shows that Coulomb attraction and interfacial recombination are the fundamental mechanisms driving quenching after charge extraction. Based on these insights, we present a decision tree for heterojunction classification and PL interpretation applicable across diverse optoelectronic systems, including photovoltaics, photodetectors, and LEDs. Our approach supports systematic screening and optimization of half-devices, bridging the gap between accelerated materials discovery and accelerated device discovery. |
| title | Unlocking High-Throughput Heterojunction Discovery |
| topic | Applied Physics Materials Science |
| url | https://arxiv.org/abs/2510.11548 |