DFT and TD-DFT studies for optoelectronic properties of coumarin based donor-π-acceptor (D-π-A) dyes: applications in dye-sensitized solar cells (DSSCS)
Said Vuai, Mwanahadia Salum Khalfan, Numbury Surendra Babu
Abstract
) values are calculated in the gas phase, as well as in the solvent phase. This study shows that D1-CM-D1 and D2-CM-A2 derivatives have better properties for application in the DSSCs.
Topics & Concepts
HOMO/LUMODye-sensitized solar cellBand gapAcceptorPhotochemistryDihedral angleChemistryEnergy conversion efficiencySemiconductorIntramolecular forceOpen-circuit voltageMaterials scienceOptoelectronicsPhysical chemistryElectrodeMoleculeHydrogen bondStereochemistryVoltageElectrolyteOrganic chemistryPhysicsQuantum mechanicsCondensed matter physicsTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties