Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study
Maedeh Kamel, Ebraheem Abdu Musad Saleh, Kamal Mohammadifard, Iroda Maratovna Nigmatova, Sheela Bijlwan, Montather F. Ramadan, Abbas Heshmati Jannat Magham
Topics & Concepts
NanocagesNatural bond orbitalDensity functional theoryAdsorptionMoleculeMaterials scienceComputational chemistryDopingNanocarriersAtom (system on chip)Physical chemistryChemical physicsChemistryNanotechnologyDrug deliveryOrganic chemistryCatalysisComputer scienceEmbedded systemOptoelectronicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsFullerene Chemistry and Applications