Water-silanol interactions on the amorphous silica surface: A dispersion-corrected DFT investigation
Youssef Berro, Michaël Badawi, F. El Haj Hassan, Mounir Kassir, Frederik Tielens
Topics & Concepts
SilanolAmorphous silicavan der Waals forceChemistryDispersion (optics)Interaction energyComputational chemistryAmorphous solidFlexibility (engineering)Surface (topology)Chemical physicsPhysical chemistryCrystallographyMoleculeChemical engineeringPhysicsOrganic chemistryGeometryMathematicsCatalysisOpticsStatisticsEngineeringGlass properties and applicationsSpectroscopy and Quantum Chemical StudiesIron oxide chemistry and applications