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Reactivity of layered manganese oxide toward water oxidation under alkaline c...
This dataset includes the computational workflows of a density functional theory based study of the oxygen evolution reaction (OER) on a manganese oxide catalyst in presence and... -
Oxygen evolution and reduction on Fe‑doped NiOOH
This dataset includes the full computational workflows of a proof-of-concept study of various possible mechanisms (standard and bifunctional ones) for oxygen evolution reaction... -
Oxygen evolution reaction by a palladium foil in the presence of iron
This dataset includes the full computational workflows of a density functional theory based thermodynamics model for the overpotential of the oxygen evolution reaction (OER) on...
