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New Phenoxazine-Based Organic Dyes with Various Acceptors for Dye-Sensitized Solar Cells: Synthesis, Characterization, DSSCs Fabrications and DFT Study

T. Saravana Kumaran, A. Prakasam, P. M. Anbarasan, P. Vennila, G. Venkatesh, S. Parveen Banu, Y. Sheena Mary

2021Journal of Computational Biophysics and Chemistry20 citationsDOI

Abstract

As sensitizers, a series of organic dyes containing phenoxazine is synthesized for use in dye-sensitized solar cells (DSSCs). The dyes were characterized using FT-IR, NMR and UV experiments. Quantum chemical calculations were used to gain insight into the structural, electronic and photophysical properties including its as-synthesized sensitizers, as well as to allocate experimental spectroscopic results. It has been observed that increasing the electron-donor potential and the [Formula: see text]-conjugated bridge of the dyes would increase the photovoltaic performance. The obtained two dyes have substantially higher efficiency of 6.6 and 6.4%, respectively, under the modeled AM1.5G conditions. Efficient electron injection from the excited sensitizer to the conduction band of TiO 2 film occurs due to further delocalizing electrons in the [Formula: see text]-conjugated bridge and donor areas of the dyes. Using cyclic voltammetry, the electrochemical efficiency of BPA and BPCA was evaluated, and reversible oxidation signals were reported.

Topics & Concepts

PhenoxazineDye-sensitized solar cellConjugated systemCyclic voltammetryPhotochemistryElectrochemistryExcited stateMaterials scienceElectron donorChemistryEnergy conversion efficiencyOptoelectronicsPhysical chemistryOrganic chemistryPhenothiazinePolymerElectrodeElectrolyteNuclear physicsPharmacologyCatalysisMedicinePhysicsTiO2 Photocatalysis and Solar CellsConducting polymers and applicationsOrganic Electronics and Photovoltaics