The Adsorption of 1-Chloro-1,2,2,2-Tetrafluoroethane Onto the Pristine, Al-, and Ga-Doped Boron Nitride Nanosheet
Mohsen Doust Mohammadi, Hewa Y. Abdullah, A. Suvitha
Topics & Concepts
Density functional theoryNatural bond orbitalNanosheetBoron nitrideMaterials scienceChemical physicsDopantMoleculeIntermolecular forceDopingComputational chemistryBasis setHOMO/LUMOValence (chemistry)Atoms in moleculesNanotechnologyChemistryOrganic chemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchFullerene Chemistry and Applications2D Materials and Applications