A Highly Efficient Bi2O2Se/Bi2WO6 S-Scheme Heterojunction Photocatalyst for Solar Water Splitting : A First-Principles Study
Two-dimensional (2D) S-scheme heterojunctions have garnered significant interest, owing to their remarkable redox capability and excellent potential in solar energy harvesting. In the work, a 2D/2D S-scheme heterojunction consisting of monolayer Bi2O2Se and Bi2WO6 was designed, and its performance i...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1985. - 41(2025), 35 vom: 09. Sept., Seite 23761-23771 |
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| Weitere Verfasser: | , , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2025
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Zusammenfassung: | Two-dimensional (2D) S-scheme heterojunctions have garnered significant interest, owing to their remarkable redox capability and excellent potential in solar energy harvesting. In the work, a 2D/2D S-scheme heterojunction consisting of monolayer Bi2O2Se and Bi2WO6 was designed, and its performance in photocatalytic water splitting was comprehensively investigated using first-principles calculations. The results reveal that the Bi2O2Se/Bi2WO6 heterojunction features well-aligned electronic band structures and generates an intrinsic built-in electric field directed from Bi2O2Se toward Bi2WO6. The internal electric field promotes effective charge separation via the S-scheme mechanism, significantly reducing carrier recombination and improving the dissociation of photogenerated electron-hole pairs. Furthermore, Gibbs free energy calculations indicate that solar energy can drive spontaneous water splitting of the Bi2O2Se/Bi2WO6 heterojunction. Owing to its efficient S-scheme charge migration and strong light-harvesting capability across a wide spectral range, the Bi2O2Se/Bi2WO6 heterojunction exhibits an impressive solar-to-hydrogen (STH) conversion efficiency that reaches 23.48%. These findings demonstrate that the Bi2O2Se/Bi2WO6 S-scheme heterojunction is a highly promising and stable photocatalyst for efficient solar-driven hydrogen production |
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| Beschreibung: | Date Revised 09.09.2025 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/acs.langmuir.5c02996 |