English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Polar heterogeneous photocatalysts were shown to lead to enhancedcharge-carrier separation that results in superior activity for example forphotocatalytic water splitting. Promising photocatalyst materials such asoxynitrides can be rendered polar by epitaxial strain, which however alsoincreases their band gap, making them unsuitable for visible light absorption.This suggests a trade-off between small band gaps and polar distortions - bothbeing crucial for the catalyst's efficiency. In this paper we investigate,using density functional theory calculations, the suitability of strainedAB(O$_x$S$_{1-x}$)$_{3}$ perovskites for photocatalytic water splitting. Thesematerials normally have band gaps too small for water splitting but inducingpolar distortions via epitaxial strain can increase the band gap to thesuitable range. We find perovskite BaZr$_y$Ti$_{1-y}$O$_2$S compounds to behighly promising for photocatalytic water splitting due to large polardistortions and suitable band gaps.

Band-gap engineering in AB(O$_x$S$_{1-x}$)$_{3}$ perovskite oxysulfides: A route to strongly polar materials for photocatalytic water splitting