Efficient tuning of benzocarbazole based small donor molecules with D-π-A-π-D configuration for high-efficiency solar cells via π-bridge manipulation: A DFT/ TD-DFT study
Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryMoietyMoleculeAbsorption (acoustics)AcceptorPhotovoltaic systemAbsorption spectroscopyBand gapElectron donorOrganic solar cellComputational chemistrySmall moleculePhotochemistryOptoelectronicsStereochemistryOrganic chemistryMaterials scienceOpticsPolymerPhysicsCatalysisCondensed matter physicsEcologyComposite materialBiochemistryBiologyOrganic Electronics and PhotovoltaicsConducting polymers and applicationsNonlinear Optical Materials Research