Issue 25, 2017

K-doped Sr2Fe1.5Mo0.5O6−δ predicted as a bifunctional catalyst for air electrodes in proton-conducting solid oxide electrochemical cells

Abstract

Perovskite oxides are promising electrodes for oxygen evolution and reduction reactions (OER/ORR), but it is difficult for a single material to catalyze both reactions efficiently. We investigated using first-principles calculations the K-doped Sr2Fe1.5Mo0.5O6−δ mixed proton–electron conducting oxide. We found that aliovalent doping tunes the electronic features to be optimal for the ORR and lattice expansion-driven surface reconstruction stabilizes the key *OOH intermediate for the OER. The resulting ORR/OER overpotentials are very low (∼0.5 V), suggesting the application of this material as an air electrode in reversible solid oxide electrochemical cells.

Graphical abstract: K-doped Sr2Fe1.5Mo0.5O6−δ predicted as a bifunctional catalyst for air electrodes in proton-conducting solid oxide electrochemical cells

Supplementary files

Article information

Article type
Communication
Submitted
17 Apr 2017
Accepted
04 Jun 2017
First published
05 Jun 2017

J. Mater. Chem. A, 2017,5, 12735-12739

K-doped Sr2Fe1.5Mo0.5O6−δ predicted as a bifunctional catalyst for air electrodes in proton-conducting solid oxide electrochemical cells

A. B. Muñoz-García and M. Pavone, J. Mater. Chem. A, 2017, 5, 12735 DOI: 10.1039/C7TA03340K

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