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RESEARCH PRODUCT

Proton, Hydroxide Ion, and Oxide Ion Affinities of Closed-Shell Oxides: Importance for the Hydration Reaction and Correlation to Electronic Structure

Eugene A. KotominEugene A. KotominMaximilian F. HoedlJoachim MaierTor S. BjørheimRotraut Merkle

subject

ProtonChemistryInorganic chemistryEnthalpy02 engineering and technologyElectronic structure010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesAffinities0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonchemistry.chemical_compoundGeneral EnergyHydration reactionHydroxidePhysical and Theoretical Chemistry0210 nano-technologyOpen shell

description

Phenomenologically, the enthalpy of the dissociative water incorporation (hydration) of oxides is often found to be more favorable for more basic oxides. In the present work, we investigate proton,...

https://doi.org/10.1021/acs.jpcc.9b07570