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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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Váldodahkkit: Ethan Berger, Tobias Hainer, Tobias Möslinger, Paul Erhart, Julia Wiktor
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: American Physical Society 2026-07-01
Ráidu:PRX Energy
Liŋkkat:http://doi.org/10.1103/xwxv-6s55
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