A DFT study on the effect of the external electric field on ammonia interaction with boron nitride nano-cage
H.M. Badran, Kh.M. Eid, H.Y. Ammar
Topics & Concepts
AdsorptionBoron nitrideHOMO/LUMOElectric fieldBand gapDipoleChemistryDensity functional theoryBoronMaterials scienceAnalytical Chemistry (journal)MoleculeComputational chemistryPhysical chemistryPhysicsOrganic chemistryOptoelectronicsQuantum mechanicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsFullerene Chemistry and Applications