Surface Chemistry of Perovskite Oxynitride Photocatalysts: A Computational Perspective
Journal article, 2021

Perovskite oxynitrides are an established class of photocatalyst materials for water splitting. Previous computational studies have primarily focused on their bulk properties and have drawn relevant conclusions on their light absorption and charge transport properties. The actual catalytic conversions, however, occur on their surfaces and a detailed knowledge of the atomic-scale structure and processes on oxynitride surfaces is indispensable to further improve these materials. In this contribution, we summarize recent progress made in the understanding of perovskite oxynitride surfaces, highlight key processes that set these materials apart from their pure oxide counterparts and discuss challenges and possible future directions for research on oxynitrides.

Surface chemistry

Photoanode

Photocatalysis

Oxynitride

Water splitting

Author

Maria Bouri

University of Bern

Silviya Ninova

University of Bern

Hassan Ouhbi

Chalmers, Physics, Condensed Matter and Materials Theory

University of Bern

Nathalie Vonrueti

University of Bern

Ulrich Aschauer

University of Bern

Published in

Chimia

0009-4293 (ISSN)

Vol. 75Issue 3p. 202-207

Categorizing

Subject Categories

Physical Chemistry

Other Chemistry Topics

Condensed Matter Physics

Identifiers

DOI

10.2533/chimia.2021.202

PubMed

33766203

More information

Latest update

5/17/2021