Stability of Polarons and Oxygen Vacancies in BiVO_{4} Revealed by Machine-Learning-Driven Simulations
Bismuth vanadate is a promising photoanode material for photoelectrocatalytic water splitting. Localized charges play a crucial role in the water-splitting mechanism by introducing charge-transition levels within the band gap and thereby modifying the band alignment. Additionally, the introduction o...
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| Autors principals: | , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Physical Society
2026-07-01
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| Col·lecció: | PRX Energy |
| Accés en línia: | http://doi.org/10.1103/xwxv-6s55 |
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