Density functional theory study of the sensing of ozone gas molecules by using fullerene-like Group-III nitride nanostructures
Debashis Roy, Md. Rakib Hossain, Md. Kamal Hossain, Md. Rakib Hossain, Farid Ahmed
Topics & Concepts
NanocagesDensity functional theoryMoleculeNatural bond orbitalMaterials scienceHOMO/LUMOFullereneDipoleNanostructureBand gapComputational chemistryBasis setAtoms in moleculesChemical physicsNanotechnologyChemistryOrganic chemistryOptoelectronicsCatalysisBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsSuperconductivity in MgB2 and Alloys