{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Pan J"],"funding":["National Natural Science Foundation of China"],"pagination":["540-545"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8978636"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["12(1)"],"pubmed_abstract":["The activity of the hydrogen evolution reaction (HER) during photoelectrochemical (PEC) water-splitting is limited when using BiVO<sub>4</sub> with an exposed [110] facet because the conduction band minimum is below the H<sup>+</sup>/H<sub>2</sub>O potential. Here, we enhance the photocatalytic hydrogen production activity through introducing an oxygen vacancy. Our first-principles calculations show that the oxygen vacancy can tune the band edge positions of the [110] facet, originating from an induced internal electric field related to geometry distortion and charge rearrangement. Furthermore, the induced electric field favors photogenerated electron-hole separation and the enhancement of atomic activity. More importantly, oxygen-vacancy-induced electronic states can increase the probability of photogenerated electron transitions, thus improving optical absorption. This study indicates that oxygen-defect engineering is an effective method for improving the photocatalytic activity when using PEC technology."],"journal":["RSC advances"],"pubmed_title":["Enhancing the photocatalytic hydrogen production activity of BiVO<sub>4</sub> [110] facets using oxygen vacancies."],"pmcid":["PMC8978636"],"funding_grant_id":["11774302","21903014","12074332"],"pubmed_authors":["Zhang W","Pan J","Hu J","Ma X"],"additional_accession":[]},"is_claimable":false,"name":"Enhancing the photocatalytic hydrogen production activity of BiVO<sub>4</sub> [110] facets using oxygen vacancies.","description":"The activity of the hydrogen evolution reaction (HER) during photoelectrochemical (PEC) water-splitting is limited when using BiVO<sub>4</sub> with an exposed [110] facet because the conduction band minimum is below the H<sup>+</sup>/H<sub>2</sub>O potential. Here, we enhance the photocatalytic hydrogen production activity through introducing an oxygen vacancy. Our first-principles calculations show that the oxygen vacancy can tune the band edge positions of the [110] facet, originating from an induced internal electric field related to geometry distortion and charge rearrangement. Furthermore, the induced electric field favors photogenerated electron-hole separation and the enhancement of atomic activity. More importantly, oxygen-vacancy-induced electronic states can increase the probability of photogenerated electron transitions, thus improving optical absorption. This study indicates that oxygen-defect engineering is an effective method for improving the photocatalytic activity when using PEC technology.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Dec","modification":"2025-04-19T13:00:38.618Z","creation":"2025-04-19T13:00:38.618Z"},"accession":"S-EPMC8978636","cross_references":{"pubmed":["35424485"],"doi":["10.1039/d1ra07121a"]}}