Items for "Hydronium"

DFT Studies on the Nature of Coadsorbates on SO₄^2-/Au(111)

Density Functional Theory (DFT) studies were performed on the adsorption of sulfate on Au(111). Focusing on the well-known (√3 × √7)R19.1º structure reported by various surface sensitive techniques, the coadsorption of H₃O⁺ and/or H₂O has been considered in different combinations...

Keywords: Density functional theory, Au(111) Surface, Sulfate Adsorption, Hydronium, Water