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Effects of van der Waals interactions on the dipole moment and adsorption energy of H2O on Au(100) and Cu(100) surfaces: Density functional theory study

Walid Iken, Hayat EL Ouafy, Soukaina Naciri, Mohamed Reda Chriyaa, Loubna Halil, Mouna Aamor, Mouad Boutkbout Nait Moudou, Tarik EL Ouafy

2025Journal of the Indian Chemical Society12 citationsDOI

Topics & Concepts

Chemistryvan der Waals forceDensity functional theoryVan der Waals surfaceDipoleVan der Waals strainAdsorptionMoment (physics)Computational chemistryHamaker constantChemical physicsInteraction energyVan der Waals radiusPhysical chemistryQuantum mechanicsMoleculeOrganic chemistryPhysicsAdvanced Chemical Physics StudiesCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactions
Effects of van der Waals interactions on the dipole moment and adsorption energy of H2O on Au(100) and Cu(100) surfaces: Density functional theory study | Litcius