THEORETICAL STUDY OF DITHIAPORPHYRIN AS SENSITIZER FOR DYE-SENSITIZED SOLAR CELLS APPLICATION

Dye-sensitized solar cells (DSSCs) have gained significant attention because of their low production costs, ease of fabrication and tunable aesthetic features. Here, we have designed a zinc dithiaporphyrin structure based on D-π-A strategy and studied its optoelectronic properties and then compared it with the YD2-o-C8 of porphyrin as reference dye. Properties of this sensitizer was investigated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Our calculation results indicated that the new structure has the reasonable optical properties as a sensitizer for DSSCs applications.