January 1, 2019Open Access

Band-gap engineering in AB(OxS1−x)3 perovskite oxysulfides: a route to strongly polar materials for photocatalytic water splitting

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Abstract

DFT calculations predict BaZrxTi1−xO2S to combine ferroelectricity and small band gaps making them promising materials for photocatalytic water splitting.

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Nathalie Vonrüti

University of Bern

Ulrich Aschauer

University of Salzburg

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Journal of Materials Chemistry A

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University of Bern

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Vonrüti et al. (Tue,) studied this question.

synapsesocial.com/papers/69da7e1f114855a51268408c — DOI: https://doi.org/10.1039/c9ta03116b

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Band theory and Mott insulators: HubbardUinstead of StonerI· 1991 · 7,348 citations

Also consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

Visible Light-Driven Z-Scheme Water Splitting Using Oxysulfide H2 Evolution Photocatalysts· 2016 · 121 citations
Special points for Brillouin-zone integrations· 1976 · 69,998 citations
Die Gesetze der Krystallochemie· 1926 · 3,796 citations
Computational screening of perovskite metal oxides for optimal solar light capture· 2011 · 439 citations
Band theory and Mott insulators: HubbardUinstead of StonerI· 1991 · 7,348 citations

Band-gap engineering in AB(OxS1−x)3 perovskite oxysulfides: a route to strongly polar materials for photocatalytic water splitting

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Abstract

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Authors

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Institutions

References and Citations

Citation Network

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Discussion

Cite this study

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