Surface stability of perovskite oxides under OER operating conditions: a first principles approach.
Faraday Discuss
; 229: 75-88, 2021 May 01.
Article
em En
| MEDLINE
| ID: mdl-33889883
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.
Texto completo:
1
Bases de dados:
MEDLINE
Idioma:
En
Revista:
Faraday Discuss
Assunto da revista:
QUIMICA
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Estados Unidos