Oxygen-evolution reactions (OER) on transition-metal-doped Fe3Co(PO4)4 iron-phosphate surfaces: a first-principles study
- 9 June 2021
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Catalysis Science & Technology
- Vol. 11 (13), 4619-4626
- https://doi.org/10.1039/d1cy00302j
Abstract
A series of transition-metal-doped Fe1−xMxCo(PO4)4(010) and Fe3Co1−xMx(PO4)4(010) electro-catalyst surfaces (with M = Mn, Os, Ru, Rh and Ir) have been modelled via density-functional theory (DFT) to gauge their oxygen-evolution reactions (OER).Keywords
Funding Information
- Science Foundation Ireland (SFI/17/NSFC/5229)
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