A computational study on boron dipyromethene ancillary acceptor-based dyes for dye-sensitized solar cells
Ganapathi Rao Kandregula, Sudip Mandal, Prince Gollapalli, Satyesh Kumar Yadav, Kothandaraman Ramanujam
Abstract
A series of (D-π)<sub>2</sub>–A<sub>n</sub>–A based organic dyes containing a boron dipyrromethene (BODIPY) moiety as an ancillary acceptor (A<sub>n</sub>) derivative were chosen, and the effect of donor moieties (diarylamine, carbazole, azepine, and dibenzazepine) was investigated to understand their photophysical and photoelectrochemical properties by employing density functional theory.
Topics & Concepts
ChemistryMoietyBODIPYCarbazoleAcceptorDye-sensitized solar cellBoronPhotochemistryDerivative (finance)Density functional theoryAzepineComputational chemistryOrganic chemistryFluorescencePhysical chemistryElectrodeQuantum mechanicsElectrolyteEconomicsFinancial economicsPhysicsCondensed matter physicsTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesLuminescence and Fluorescent Materials