Volume 229, 2021

Surface stability of perovskite oxides under OER operating conditions: a first principles approach

Abstract

The activity–stability conundrum has long been the Achilles’ heel in the design of catalysts, in particular, for electrochemical reactions such as water splitting. Here, we use ab initio thermodynamics to delineate the surface stoichiometry of a group of perovskite oxides with different activities towards the oxygen evolution reaction (OER), in order to get a measure of their stability under OER operating conditions. In particular, we compare the surface stability of SrIrO3, SrRuO3 and SrTiO3, establishing atomistic insights into the stability and dissolution of these oxide surfaces.

Graphical abstract: Surface stability of perovskite oxides under OER operating conditions: a first principles approach

Associated articles

Article information

Article type
Paper
Submitted
23 déc. 2019
Accepted
28 janv. 2020
First published
17 avr. 2020

Faraday Discuss., 2021,229, 75-88

Surface stability of perovskite oxides under OER operating conditions: a first principles approach

A. S. Raman, R. Patel and A. Vojvodic, Faraday Discuss., 2021, 229, 75 DOI: 10.1039/C9FD00146H

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