Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight
Md. Rakib Hossain, Md. Mehade Hasan, Noor–E- Ashrafi, Hamidur Rahman, Mohammad Sadiqur Rahman, Farid Ahmed, Tahmina Ferdous, Md. Abul Hossain
Topics & Concepts
AdsorptionPhysisorptionBoron nitrideGrapheneDensity functional theoryNanosheetBoron carbideMaterials scienceAqueous solutionComputational chemistryChemical engineeringInorganic chemistryNanotechnologyChemistryPhysical chemistryComposite materialEngineeringGraphene research and applicationsGraphene and Nanomaterials ApplicationsBoron and Carbon Nanomaterials Research