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250903s2025 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.5c02996
|2 doi
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|a eng
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|a Jian, Shengyong
|e verfasserin
|4 aut
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|a A Highly Efficient Bi2O2Se/Bi2WO6 S-Scheme Heterojunction Photocatalyst for Solar Water Splitting
|b A First-Principles Study
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|c 2025
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Revised 09.09.2025
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a 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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|a Journal Article
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|a Xiao, Qingquan
|e verfasserin
|4 aut
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| 700 |
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|a Huang, Jin
|e verfasserin
|4 aut
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| 700 |
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|a Ye, Jianfeng
|e verfasserin
|4 aut
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|a Zhang, Liqin
|e verfasserin
|4 aut
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|a Xu, Linjun
|e verfasserin
|4 aut
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| 700 |
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|a Xie, Quan
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1985
|g 41(2025), 35 vom: 09. Sept., Seite 23761-23771
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnas
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| 773 |
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|g volume:41
|g year:2025
|g number:35
|g day:09
|g month:09
|g pages:23761-23771
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|u http://dx.doi.org/10.1021/acs.langmuir.5c02996
|3 Volltext
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