Computational study of X-doped hexagonal boron nitride (h-BN): structural and electronic properties (X = P, S, O, F, Cl)
Qurat ul Ain Asif, Akhtar Hussain, Azeem Ghulam Nabi, Muhammad Tayyab, Hafiz Muhammad Rafique
Topics & Concepts
DopantDopingMaterials scienceAb initioMonolayerBand gapBoron nitrideBoronNitrideElectronic structureHexagonal boron nitrideWide-bandgap semiconductorAb initio quantum chemistry methodsDirect and indirect band gapsElectronic band structureComputational chemistryCrystallographyNanotechnologyCondensed matter physicsOptoelectronicsChemistryMoleculePhysicsLayer (electronics)GrapheneOrganic chemistryGraphene research and applications2D Materials and ApplicationsBoron and Carbon Nanomaterials Research