pyrilium-based salts in dye-sensitized solar cells

Here, we introduce two benzo-substituted pyrilium-based (bpd) salts (so-called 1 and 2 dyes) for photoanodes of dye-sensitized solar cells (dscs). density functional theory (dft) calculation has employed to explore the energy of the highest occupied molecular orbitals (homos), the lowest unoccupied molecular orbitals (lumos), and the bandgaps of 1 and 2 dyes as well as their ultraviolet-visible (uv-vis) and infrared (ir) spectra. the calculated uv-vis and ir results have successfully matched with the experimental one. finally, the as-fabricated dscs with tio2 photoanode, iodide/triiodide electrolyte, and pt counter electrode have exhibited the power conversion efficiency (pce) of 1.50% and 2.72% respectively for 1 and 2 sensitizers.