Molecular Design of Efficient Organic D–A–Π –A Dye Featuring Triphenylamine as Donor Fragment for Application in Dye-Sensitized Solar Cells

Abstract

A metal-free organic sensitizer, suitable for the application in dye-sensitized solar cells (DSSCs), has been designed, synthesized and characterized both experimentally and theoretically. The structure of the novel donor–acceptor–π-bridge–acceptor (D–A–π–A) dye incorporates a triphenylamine (TPA) segment and 4-(benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic acid (BTEBA). The triphenylamine unit is widely used as an electron donor for photosensitizers, owing to its nonplanar molecular configuration and excellent electron-donating capability, whereas 4-(benzo[c][1,2,5]thiadiazol-4-ylethynyl)benzoic acid is used as an electron acceptor unit. The influences of I3−/I−, [Co(bpy)3]3+/2+ and [Cu(tmby)2]2+/+ (tmby=4,4′,6,6′-tetramethyl-2,2′-bipyridine) as redox electrolytes on the DSSC device performance were also investigated. The maximal monochromatic incident photon-to-current conversion efficiency (IPCE) reached 81 % and the solar light to electrical energy conversion efficiency of devices with [Cu(tmby)2]2+/+ reached 7.15 %. The devices with [Co(bpy)3]3+/2+ and I3−/I− electrolytes gave efficiencies of 5.22 % and 6.14 %, respectively. The lowest device performance with a [Co(bpy)3]3+/2+-based electrolyte is attributed to increased charge recombination.