Abstract Acceptor electron groups play a key role in sensitizer proficiency in the DSSCs. To study this effect, a variety of acceptor electron groups were placed on a common scaffold. In this way, various intermediates and dyes were engineered, synthesized, purified and identified. Titanium dioxide and Na-doped TiO2 were employed to prepare of nanocrystalline layer of the photovoltaic devices. The blue movement was beholden in the UV–Visible test the coated photosensitizers on nanoparticle due to the J-type aggregation. 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 Na-doped TiO2 or TiO2. The photovoltaic device, which contains Dye 2, has the highest Jsc. The operation of photovoltaic device based on titanium dioxide is lower than that of Na-doped TiO2.