The potential of overlayers on tin-based perovskites for water splitting (article)
dc.contributor.author | Taylor, NT | |
dc.contributor.author | Price, CJ | |
dc.contributor.author | Petkov, A | |
dc.contributor.author | Romanis Carr, MI | |
dc.contributor.author | Hale, JC | |
dc.contributor.author | Hepplestone, SP | |
dc.date.accessioned | 2020-05-11T14:19:19Z | |
dc.date.issued | 2020-04-30 | |
dc.description.abstract | Photo-electrochemical water-splitting is a promising method of clean hydrogen production for green energy uses. Here, we report on a tin-based oxide perovskite combined with an overlayer that shows enhanced bifunctional hydrogen and oxygen evolution. In our first-principles study of tin based perovskites, based upon Density Functional Theory, we investigate how the formation of a surface affects the electronic properties of these materials. We show that the best candidate, SrSnO3, possesses hydrogen and oxygen overpotentials of 0.75 and 0.72 eV, respectively, which are reduced to 0.35 and 0.54 eV with the inclusion of a ZrO2 overlayer. Furthermore, this overlayer promotes charge extraction, stabilises the reaction pathways and improves the band gap such that it straddles the overpotentials between pH 0 and pH 12. This result indicates that SrSnO3 with a ZrO2 overlayer has significant potential as a highly efficient bifunctional water-splitter for producing hydrogen and oxygen gas on the same surface | en_GB |
dc.description.sponsorship | Engineering and Physical Sciences Research Council (EPSRC) | en_GB |
dc.identifier.citation | Vol 11, pp. 4124 - 4130 | en_GB |
dc.identifier.doi | 10.1021/acs.jpclett.0c00964 | |
dc.identifier.grantnumber | EP/L015331/1 | en_GB |
dc.identifier.grantnumber | EP/L000202 | en_GB |
dc.identifier.grantnumber | EP/R029431 | en_GB |
dc.identifier.uri | http://hdl.handle.net/10871/121001 | |
dc.language.iso | en | en_GB |
dc.publisher | American Chemical Society (ACS) | en_GB |
dc.relation.url | https://doi.org/10.24378/exe.2304 | en_GB |
dc.rights | © 2020 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. | en_GB |
dc.title | The potential of overlayers on tin-based perovskites for water splitting (article) | en_GB |
dc.type | Article | en_GB |
dc.date.available | 2020-05-11T14:19:19Z | |
dc.identifier.issn | 1948-7185 | |
dc.description | The dataset associated with this article is in ORE at https://doi.org/10.24378/exe.2304 | en_GB |
dc.description | This is the final version. Available from the publisher via the DOI in this record. | en_GB |
dc.identifier.journal | The Journal of Physical Chemistry Letters | en_GB |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | en_GB |
dcterms.dateAccepted | 2020-04-30 | |
exeter.funder | ::Engineering and Physical Sciences Research Council (EPSRC) | en_GB |
rioxxterms.version | AM | en_GB |
rioxxterms.licenseref.startdate | 2020-04-30 | |
rioxxterms.type | Journal Article/Review | en_GB |
refterms.dateFCD | 2020-05-11T14:11:19Z | |
refterms.versionFCD | AM | |
refterms.dateFOA | 2020-05-11T14:19:25Z | |
refterms.panel | B | en_GB |
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