{"title":"Unveiling the role of localized polaronic mid-gap states in enhanced carrier transfer in TiO<sub>2</sub>/BiVO<sub>4</sub> heterojunctions under visible light irradiation.","authors":"Zixi Yin, Xingchen Liu, Guijie Liang, Yin Wang","doi":"10.1038/s41598-025-10259-9","DOIUrl":null,"url":null,"abstract":"<p><p>TiO<sub>2</sub>/BiVO<sub>4</sub> heterojunctions are considered to be one of the most promising materials for photocatalysts due to their extended carrier lifetime, high visible light response, and good stability. However, while Type-II TiO<sub>2</sub>/BiVO<sub>4</sub> heterojunctions are well-studied, the fundamental mechanism behind the Type-I configurations remains unclear, particularly regarding their unexpected high photocatalytic activity despite theoretically unfavorable band alignment. Herein, we reveal that localized polaronic mid-gap states (SP states) can mediate efficient charge transfer and recombination in TiO<sub>2</sub>/BiVO<sub>4</sub> using time-resolved photoluminescence (PL) spectroscopy and transient absorption spectroscopy (TAS), providing direct experimental evidence of this mechanism. The existence of SP states enables exceptional methyl orange degradation efficiency (nearly 100% in 1 h under visible light) despite the theoretically unfavorable Type-I alignment. This work redefines the potential of Type-I systems for visible-light photocatalysis by demonstrating how polaron engineering overcomes the limitations of traditional band structures, advancing their applications in solar utilization.</p>","PeriodicalId":21811,"journal":{"name":"Scientific Reports","volume":"15 1","pages":"24343"},"PeriodicalIF":3.9000,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12234835/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scientific Reports","FirstCategoryId":"103","ListUrlMain":"https://doi.org/10.1038/s41598-025-10259-9","RegionNum":2,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0
Abstract
TiO2/BiVO4 heterojunctions are considered to be one of the most promising materials for photocatalysts due to their extended carrier lifetime, high visible light response, and good stability. However, while Type-II TiO2/BiVO4 heterojunctions are well-studied, the fundamental mechanism behind the Type-I configurations remains unclear, particularly regarding their unexpected high photocatalytic activity despite theoretically unfavorable band alignment. Herein, we reveal that localized polaronic mid-gap states (SP states) can mediate efficient charge transfer and recombination in TiO2/BiVO4 using time-resolved photoluminescence (PL) spectroscopy and transient absorption spectroscopy (TAS), providing direct experimental evidence of this mechanism. The existence of SP states enables exceptional methyl orange degradation efficiency (nearly 100% in 1 h under visible light) despite the theoretically unfavorable Type-I alignment. This work redefines the potential of Type-I systems for visible-light photocatalysis by demonstrating how polaron engineering overcomes the limitations of traditional band structures, advancing their applications in solar utilization.
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