Review on the DFT computation of bulk heterojunction and dye-sensitized organic solar cell properties
Nathália M. P. Rosa, Itamar Borges
Topics & Concepts
Organic solar cellDensity functional theoryMaterials scienceBand gapMarcus theoryPhotovoltaic systemChemical physicsPolymer solar cellHeterojunctionEnergy conversion efficiencyHOMO/LUMOSolar cellCharge carrierComputational chemistryNanotechnologyChemistryOptoelectronicsMoleculePhysicsQuantum mechanicsBiologyComposite materialKineticsOrganic chemistryEcologyReaction rate constantPolymerOrganic Electronics and PhotovoltaicsTiO2 Photocatalysis and Solar CellsPerovskite Materials and Applications