In Silico-DFT Investigation of Nanocluster Alloys of Al-(Mg, Ge, Sn) Coated by Nitrogen Heterocyclic Carbenes as Corrosion Inhibitors
Fatemeh Mollaamin, Majid Monajjemi
Topics & Concepts
Materials scienceDensity functional theoryHOMO/LUMOPhysical chemistryNatural bond orbitalAlloyLangmuir adsorption modelComputational chemistryAdsorptionCrystallographyChemistryOrganic chemistryMetallurgyMoleculeBoron and Carbon Nanomaterials ResearchMetal and Thin Film MechanicsCorrosion Behavior and Inhibition