Conductivity tuning of charged triazine and heptazine graphitic carbon nitride (g-C3N4) quantum dots via nonmetal (B, O, S, P) doping: DFT calculations
Mohammad Ghashghaee, Zahra Azizi, Mehdi Ghambarian
Topics & Concepts
HeteroatomGraphitic carbon nitrideHOMO/LUMODopingNonmetalDopantMaterials scienceDensity functional theoryBand gapBoron nitrideChemistryMetalNanotechnologyComputational chemistryMoleculePhotocatalysisOrganic chemistryOptoelectronicsMetallurgyRing (chemistry)CatalysisAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials2D Materials and Applications