Adsorption of drugs on B<sub>12</sub>N<sub>12</sub> and Al<sub>12</sub>N<sub>12</sub> nanocages
Remya Geetha Sadasivan Nair, Arun Kumar Narayanan Nair, Shuyu Sun
Abstract
DFT studies were carried out to understand the adsorption mechanism of twelve drug molecules on the B 12 N 12 and Al 12 N 12 nanocages.
Topics & Concepts
NanocagesAdsorptionMoleculeChemistryComputational chemistryDensity functional theoryCrystallographyNanotechnologyMaterials scienceChemical engineeringPhysical chemistryOrganic chemistryCatalysisEngineeringBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryMXene and MAX Phase Materials