Metal-free azo dyes anchored on CdS nanowires: Subtle solar cell exploration through experimental and DFT studies

Abstract

Herein, as-synthesized azo dye (E)-2-isopropyl-5-methyl-4-((4-(4-nitrophenyl) thiazol-2-yl) diazenyl) phenol (D2) has been anchored on a high surface area one dimensional CdS nanowires (NWs) in thin film form. CdS nanowires have been grown through Cd(OH)2 template formation followed by conversion to CdS by ion-exchange route. The light-electricity conversion efficiency of the CdS-Azo dye-based solar cell has shown about 5-fold remarkable surge (0.159%) compared to the bare CdS (0.03%) with I3−/I− redox mediator under standard AM 1.5 illumination (100 mW cm−2). Albeit, the DFT studies revealed a higher band gap for pristine D2, alluringly it has depicted higher light-electricity conversion efficiency among the fabricated thin film solar cells after sensitization. The relative increase in sensitivity after sensitization is attributable to facile dye regeneration. Furthermore, after the co-sensitization of CdS thin film with equimolar cocktails of as-synthesized dyes and a natural dye Betanin (Bn), less efficiency was depicted ascribable to plausible dye aggregation upon blending.