Abstract
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.
This research was undertaken with the assistance of the UNSW Australia SPF01 funding (S.C.S.). The authors acknowledge generous allocations of supercomputing time at the Pawsey Supercomputing Centre via the Australian National Computational Merit Allocation Scheme (NCMAS project fr2) and the Energy and Resources Merit Allocation Scheme of the Pawsey Supercomputing Centre (project pawsey0111). In addition, the research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). For computer time, this research used the resources of the Supercomputing Laboratory at the KAUST.