Synthesis and Characterization of Zinc (II) Phthalocyanine for Screening Potential Solar Cell Dye Application

Abstract

Phthalocyanine molecules have the potential to be used in select Dye Sensitized Solar Cells (DSSCs) and Luminescent Solar Concentrators (LSCs), due to UV-Vis absorbance in the 300-450 (nm) Soret Band, corresponding to π HOMO-1 to π* LUMO transition and 550-690 (nm) Q-band, corresponding to π HOMO to π* LUMO transitions. In this study Tetranitro Zinc (II) Phthalocyanine is synthesized via base catalysis before the product is characterized via IR, 1H NMR & UV-Vis analysis. Assessing the desirability of the Tetranitro Zinc (II) Phthalocyanine as a solar organic semiconducting dye in DSSCs and LSCs. The desirability is assessed by novel computational DFT calculations, of the aggregation binding mode to deduce if Aggregation-Caused Quenching (ACQ) is occurring in the aggregated sample. ACQ is known to reduce DSSCs and LSCs generation of useful photo-active current. Aggregation-Caused Quenching (ACQ) is mathematically indicated in Phthalocyanine aggregation and Tetranitro Zinc (II) Phthalocyanine’s desirability is assessed for further use in DSSCs and LSCs.