Empirical and theoretical modeling of anthocyanidins used as sensitize

Some drawbacks concerning the application of anthocyanidins as sensitizers in dye-sensitized solar cells (DSSCs) are low efficiency and stability of are photovoltaic devices. We investigated structural effects and electronic contributions of anthocyanidins (dye-sensitizers) to improve the efficiency of DSSCs. Anthocyanidins from crude and purified extracts of T. cattapa and H. sabdariffa as well as pure compounds of cyanidin, pelargonidin, delphinidin and malvidin were employed as sensitizers and titanium dioxide as semiconductor in fabrication of solar cells. Efficiencies of DSSCs were 0.336, 0.118 0.746, 0.645, 1.43, 0.004 and 2.27 for TCE, HSE TCP, HSP, Pg, Dp and Cy respectively. The efficiencies were found to improve with purity of dye-sensitizers; the crude extracts-sensitized solar cells have the least efficiencies, followed by the purified extracts-sensitized solar cells and Cy-sensitized solar cell has the highest efficiency among the pure anthocyanidins. Quantum chemical studies were carried out on the anthocyanidins, titanium dioxide and the anthocydin-TiO2 couples. Electronic properties of dyes showed maximum absorption transitions in this order Mv < Dp < Pg < Cy.