Ab initio insights into the interaction mechanisms between H2, H2O, and O2 molecules with diamond surfaces
Nam V. Tran, Maria Clelia Righi
Topics & Concepts
DiamondAdsorptionMaterials scienceDissociation (chemistry)TribologyAb initioDensity functional theoryMoleculeChemical physicsDiamond cubicMaterial properties of diamondAb initio quantum chemistry methodsNanotechnologyComputational chemistryPhysical chemistryChemistryComposite materialOrganic chemistryDiamond and Carbon-based Materials ResearchLubricants and Their AdditivesMetal and Thin Film Mechanics