Adsorption of alkali and alkaline earth ions on nanocages using density functional theory
Mohsen Doust Mohammadi, Hewa Y. Abdullah, Vijayanand Kalamse, Ajay Chaudhari
Topics & Concepts
NanocagesNatural bond orbitalChemistryDensity functional theoryIonAtoms in moleculesCovalent bondAlkali metalAdsorptionComputational chemistryMoleculePhysical chemistryChemical physicsOrganic chemistryCatalysisGraphene research and applicationsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials Research