Journal
PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION
Volume 34, Issue 4, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ppsc.201600280
Keywords
density functional theory; electrocatalysts; oxygen evolution reactions; perovskites; vacancies
Funding
- UNSW Australia [SPF01]
- NCMAS project [fr2]
- Energy and Resources Merit Allocation Scheme of the Pawsey Supercomputing Centre [pawsey0111]
- King Abdullah University of Science and Technology (KAUST)
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Perovskites are promising catalysts for oxygen evolution reactions (OER); among them, SrCoO3 is one of the best for these reactions. We study the O* intermediates and the role of surface oxygen vacancies of SrCoO3 during OER. A self-healing mechanism is proposed in which O* are incorporated into the surface to recover the redox capabilities of the material.
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