Nature Communications · 2019 · 284 citations · 57 references
Natural SciencesChemistryMaterials ScienceElectrochemistryInorganic ChemistryMaterials ChemistryCatalytic MaterialsElectrode MaterialsMetal OxidesPerovskite MaterialsRedox-active MaterialsSurface CatalysisElectrocatalystsHydrogen EvolutionHydrogen Evolution ReactionLayered Oxide MaterialsLayered Transition Metal OxidesOxygen Evolution ReactionTransition Metal OxidesWater Splitting
Abstract Efficient electrocatalysts for hydrogen evolution reaction are key to realize clean hydrogen production through water splitting. As an important family of functional materials, transition metal oxides are generally believed inactive towards hydrogen evolution reaction, although many of them show high activity for oxygen evolution reaction. Here we report the remarkable electrocatalytic activity for hydrogen evolution reaction of a layered metal oxide, Ruddlesden−Popper-type Sr 2 RuO 4 with alternative perovskite layer and rock-salt SrO layer, in an alkaline solution, which is comparable to those of the best electrocatalysts ever reported. By theoretical calculations, such excellent activity is attributed mainly to an unusual synergistic effect in the layered structure, whereby the (001) SrO-terminated surface cleaved in rock-salt layer facilitates a barrier-free water dissociation while the active apical oxygen site in perovskite layer promotes favorable hydrogen adsorption and evolution. Moreover, the activity of such layered oxide can be further improved by electrochemistry-induced activation.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17