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| Main Authors: | , , , , , , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2512.08287 |
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| _version_ | 1866908700112846848 |
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| author | Kunzelmann, Viktoria F. Streibel, Verena Schwinghammer, Philip Kollenz, Philipp Guzelturk, Burak Hegner, Franziska S. Eyre, Lissa Delgado, Frederico P. Zewdie, Tsedenia A. Heindl, Markus W. Galindo, Danyellen D. Monteiro Sandner, Daniel Zhou, Guanda Sirotti, Elise Bodnar, Stanislav Jiang, Yifeng Uemura, Yohei Eklund, Tobias Lima, Frederico Huang, Xinchao Vinci, Doriana Lamas, Fernando Ardana Zalden, Peter Iglev, Hristo Egger, David A. Deschler, Felix Sharp, Ian D. |
| author_facet | Kunzelmann, Viktoria F. Streibel, Verena Schwinghammer, Philip Kollenz, Philipp Guzelturk, Burak Hegner, Franziska S. Eyre, Lissa Delgado, Frederico P. Zewdie, Tsedenia A. Heindl, Markus W. Galindo, Danyellen D. Monteiro Sandner, Daniel Zhou, Guanda Sirotti, Elise Bodnar, Stanislav Jiang, Yifeng Uemura, Yohei Eklund, Tobias Lima, Frederico Huang, Xinchao Vinci, Doriana Lamas, Fernando Ardana Zalden, Peter Iglev, Hristo Egger, David A. Deschler, Felix Sharp, Ian D. |
| contents | Bismuth vanadate (BiVO$_4$) is a key photocatalyst for solar fuel applications, yet fundamental questions remain regarding the nature of photogenerated polaronic states and the lattice dynamics that govern its light-to-chemical pathways. Here, we use femtosecond optical pump-X-ray probe measurements to track the photoinduced electronic and structural dynamics in BiVO$_4$ across multiple length and time scales. Transient X-ray absorption spectroscopy captures sub-picosecond electron localization within VO$_4$ tetrahedra, consistent with small polaron formation, whereas time-resolved X-ray diffraction reveals a slower, multi-picosecond lattice reorganization into a hidden photoexcited state that is structurally distinct from both the monoclinic ground state and the high-temperature tetragonal phase. Supported by density functional theory, we show that hole-lattice interactions dynamically reduce the ground state monoclinic distortion, stabilizing the hidden state. Our results demonstrate that electron- and hole-lattice coupling jointly shape the excited state landscape, with implications for carrier transport, interfacial energetics, and light-to-chemical energy conversion pathways. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_08287 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Ultrafast light-induced formation of a metastable hidden state in bismuth vanadate Kunzelmann, Viktoria F. Streibel, Verena Schwinghammer, Philip Kollenz, Philipp Guzelturk, Burak Hegner, Franziska S. Eyre, Lissa Delgado, Frederico P. Zewdie, Tsedenia A. Heindl, Markus W. Galindo, Danyellen D. Monteiro Sandner, Daniel Zhou, Guanda Sirotti, Elise Bodnar, Stanislav Jiang, Yifeng Uemura, Yohei Eklund, Tobias Lima, Frederico Huang, Xinchao Vinci, Doriana Lamas, Fernando Ardana Zalden, Peter Iglev, Hristo Egger, David A. Deschler, Felix Sharp, Ian D. Materials Science Bismuth vanadate (BiVO$_4$) is a key photocatalyst for solar fuel applications, yet fundamental questions remain regarding the nature of photogenerated polaronic states and the lattice dynamics that govern its light-to-chemical pathways. Here, we use femtosecond optical pump-X-ray probe measurements to track the photoinduced electronic and structural dynamics in BiVO$_4$ across multiple length and time scales. Transient X-ray absorption spectroscopy captures sub-picosecond electron localization within VO$_4$ tetrahedra, consistent with small polaron formation, whereas time-resolved X-ray diffraction reveals a slower, multi-picosecond lattice reorganization into a hidden photoexcited state that is structurally distinct from both the monoclinic ground state and the high-temperature tetragonal phase. Supported by density functional theory, we show that hole-lattice interactions dynamically reduce the ground state monoclinic distortion, stabilizing the hidden state. Our results demonstrate that electron- and hole-lattice coupling jointly shape the excited state landscape, with implications for carrier transport, interfacial energetics, and light-to-chemical energy conversion pathways. |
| title | Ultrafast light-induced formation of a metastable hidden state in bismuth vanadate |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.08287 |