A DFT study to probe homo-conjugated norbornylogous bridged spacers in dye-sensitized solar cells: an approach to suppressing agglomeration of dye molecules
Anusuya Saha, Bishwajit Ganguly
Abstract
) of 0.96. The total and partial density of states indicates a good communication between the valence and conduction band for the designed dyes. Transition density matrix results suggest that the exciton dissociation in the excited state is sufficiently high to overcome the coulombic attraction of the hole. These results are promising for the design of dye molecules with such scaffolds, to achieve better efficiency and to eliminate one of the major issues with π-spacer units in DSSCs.
Topics & Concepts
Dye-sensitized solar cellConjugated systemMoleculeEconomies of agglomerationChemistryOrganic dyePhotochemistryMaterials scienceNanotechnologyChemical engineeringOrganic chemistryPhysical chemistryPolymerElectrolyteEngineeringElectrodeTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties