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Investigation of hydrogen bonds and temperature effects on the water monolayer adsorption on rutile TiO2 (110) by first-principles molecular dynamics simulations

Materials ScienceEngineeringSurface ChemistryHydrogen BondsSurface ScienceChemisorptionRutile Tio2Physical ChemistryPhotocatalysisInterfacial StudyAdsorptionChemistryHydrogenMolecular DynamicsSurface ReactivityWater Monolayer Adsorption