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A comparative study of hydrogen evolution reaction on pseudo-monolayer WS<sub>2</sub> and PtS<sub>2</sub>: insights based on the density functional theory
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Citations
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References
2017
Year
EngineeringTheoretical Inorganic ChemistryChemistryElectronic StructureElectronic Structure CalculationsQuantum MaterialsCatalytic ActivityOxide HeterostructuresMaterials ScienceCatalysisQuantum ChemistryHydrogenLayered MaterialComparative StudyTransition Metal ChalcogenidesHydrogen TransitionSurface ChemistryNatural SciencesSurface ScienceApplied PhysicsSurface ReactivitySingle-atom CatalystHydrogen Evolution Reaction
In this study, we investigated the catalytic activity of ultrathin PtS<sub>2</sub> and WS<sub>2</sub> nanostructures for the hydrogen evolution reaction by electronic structure calculations based on the spin-polarised density functional theory.
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