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| Main Authors: | , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.29925 |
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| _version_ | 1866916061299867648 |
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| author | Guo, Xiaoyu Ye, Junzhi Alvarez, Cibrán Lopez Liedke, Maciej Oskar Butterling, Maik Alanazi, Mutibah Huang, Yi-Teng Wu, Jiajie Zhang, Zhilong Van Turnhout, Lars Boeije, Yorrick Xue, Bofeng Wang, Qingyu Lohan, Hugh Kavanagh, Seán R. Wagner, Andreas Hirschmann, Eric Taylor, Robert A. Rao, Akshay Saucedo, Edgardo Cazorla, Claudio Hoye, Robert L. Z. |
| author_facet | Guo, Xiaoyu Ye, Junzhi Alvarez, Cibrán Lopez Liedke, Maciej Oskar Butterling, Maik Alanazi, Mutibah Huang, Yi-Teng Wu, Jiajie Zhang, Zhilong Van Turnhout, Lars Boeije, Yorrick Xue, Bofeng Wang, Qingyu Lohan, Hugh Kavanagh, Seán R. Wagner, Andreas Hirschmann, Eric Taylor, Robert A. Rao, Akshay Saucedo, Edgardo Cazorla, Claudio Hoye, Robert L. Z. |
| contents | Pnictogen-based solar absorbers have gained prominence as promising nontoxic and stable alternatives to lead-halide perovskites (LHPs), but are severely limited by carrier localization, preventing their performance from approaching those of LHPs. Recent efforts have uncovered routes to overcome carrier localization, but these early efforts only considered intrinsic factors. Herein, we push beyond these limited early efforts, examining the role of defects, not only on cold carriers but also hot carriers. Focusing on the structurally one-dimensional pnictogen chalcohalide BiSBr, we find that whilst this material intrinsically does not exhibit carrier localization, vacancies introduced during synthesis or post-treatment lead to pronounced extrinsic self-trapping via the formation of defect-bound hot polarons-excited charge-carriers strongly coupled to local defect-induced vibrational modes. These above-gap defect states divert hot carriers from cooling to the band edge, thus depleting the mobile carrier population. Our findings establish the key role of defect-bound hot polarons in mediating extrinsic localization and offer new mechanistic insights into the interplay between defects, lattice coupling, and excited-state charge-carrier transport, which are critical to designing efficient perovskite-inspired solar absorbers. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_29925 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons Guo, Xiaoyu Ye, Junzhi Alvarez, Cibrán Lopez Liedke, Maciej Oskar Butterling, Maik Alanazi, Mutibah Huang, Yi-Teng Wu, Jiajie Zhang, Zhilong Van Turnhout, Lars Boeije, Yorrick Xue, Bofeng Wang, Qingyu Lohan, Hugh Kavanagh, Seán R. Wagner, Andreas Hirschmann, Eric Taylor, Robert A. Rao, Akshay Saucedo, Edgardo Cazorla, Claudio Hoye, Robert L. Z. Materials Science Pnictogen-based solar absorbers have gained prominence as promising nontoxic and stable alternatives to lead-halide perovskites (LHPs), but are severely limited by carrier localization, preventing their performance from approaching those of LHPs. Recent efforts have uncovered routes to overcome carrier localization, but these early efforts only considered intrinsic factors. Herein, we push beyond these limited early efforts, examining the role of defects, not only on cold carriers but also hot carriers. Focusing on the structurally one-dimensional pnictogen chalcohalide BiSBr, we find that whilst this material intrinsically does not exhibit carrier localization, vacancies introduced during synthesis or post-treatment lead to pronounced extrinsic self-trapping via the formation of defect-bound hot polarons-excited charge-carriers strongly coupled to local defect-induced vibrational modes. These above-gap defect states divert hot carriers from cooling to the band edge, thus depleting the mobile carrier population. Our findings establish the key role of defect-bound hot polarons in mediating extrinsic localization and offer new mechanistic insights into the interplay between defects, lattice coupling, and excited-state charge-carrier transport, which are critical to designing efficient perovskite-inspired solar absorbers. |
| title | Carrier Localization in Pnictogen-Based Chalcohalides from Defect-Bound Hot Polarons |
| topic | Materials Science |
| url | https://arxiv.org/abs/2605.29925 |