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Adsorption is the adhesion of atoms, ions or molecules from a gas, liquid or dissolved solid to a surface. This process creates a film of the adsorbate on the surface of the adsorbent. This process differs from absorption, in which a fluid (the absorbate) is dissolved by or permeates a liquid or solid (the absorbent). Adsorption is a surface phenomenon and the adsorbate does not penetrate through the surface and into the bulk of the adsorbent, while absorption involves transfer of the absorbate into the volume of the material, although adsorption does often precede absorption.
We show with DFT calculations that hydroxyl formation on anatase TiO2 from dissociation of water molecules is strongly enhanced by a nanostructured state of the oxide, involving the occurrence of comp
We show with DFT calculations within the COSMO framework that the wetting energy of clean or hydroxylated anatase TiO2 surfaces is strongly enhanced by Ca deposition at low coverage. Two mechanisms co
perform DFT calculations within the COSMO framework to study the adsorption properties of the CaHPOx (x = 1,...,4) phosphate family, and of the related HPOx acids, on a paradigmatic anatase (001) surf