LAUSR

Abstract The output of various donating substituents on the optical behavior of new photosensitizers in the solar cells was investigated. The pure intermediates and dyes were identified via an analytical procedure and confirmed the chemical structure. Zinc oxide and titanium dioxide were operated to fabricate the nanocrystalline layer of the solar cells. The UV–Visible spectra of all synthesized dyes on ZnO and TiO2 illustrated blue shift due to the J-aggregation of organic dyes on the semiconductor substrate. To predict the usability of dyes in the structure of the solar cells, two methods, DFT and CV were employed. Finally, the DSSCs devices were prepared based on synthesized dyes and ZnO or TiO2. The highest photocurrent was achieved for individual device-TiO2 sensitized with Dye 2 containing thioindigo and cyanoacrylic acid. The operation of photovoltaic device based on zinc oxide was lower than that of titanium dioxide.