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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

2020Physica E Low-dimensional Systems and Nanostructures111 citationsDOI

Topics & Concepts

AdsorptionPhysisorptionBoron nitrideGrapheneDensity functional theoryNanosheetBoron carbideMaterials scienceAqueous solutionComputational chemistryChemical engineeringInorganic chemistryNanotechnologyChemistryPhysical chemistryComposite materialEngineeringGraphene research and applicationsGraphene and Nanomaterials ApplicationsBoron and Carbon Nanomaterials Research
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 | Litcius