Theoretical investigation by DFT and TDDFT the extension of π-conjugation of novel carbazole-based donor materials for bulk heterojunction organic solar cell applications
Omar Britel, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi
Topics & Concepts
CarbazoleTime-dependent density functional theoryDensity functional theoryOrganic solar cellMolecular orbitalPolymer solar cellHOMO/LUMOEnergy conversion efficiencyComputational chemistryExcitonChemistryBand gapBinding energyMaterials scienceChemical physicsPhotochemistryMoleculeOptoelectronicsOrganic chemistryAtomic physicsPhysicsPolymerQuantum mechanicsOrganic Electronics and PhotovoltaicsNonlinear Optical Materials ResearchPerovskite Materials and Applications