Synthesis of phenothiazine dyes featuring coumarin unit and CdS NWs as photoanodes for efficient dye- sensitized solar cells

Abstract

In this study, we have inventively developed novel metal-free organic dyes (PPR and PCTR) through a multistep synthetic route. These designed novel dye molecules were integrated onto 1-D CdS nanowires, serving as excellent sensitizer for the efficient light energy harvesting components in the context of dye-sensitized solar cells. Through a facile and efficient approach to solution chemistry, we have attained the unified architecture of CdS nanowires into a multifaceted nano-network, highlighting the absolute efficiency of this approach. Density functional theory (DFT) simulations, united with scrupulous optical and electrochemical investigations, have been employed to assess the sensitizing ability of engineered materials. Remarkably, dye-anchored CdS NWs reveals prolonged light absorption coverage through visible solar spectrum than unmodified CdS nanowire counterparts. Elaborate photovoltaic study reveals, the well-matched energy band alignment, particularly LUMO levels of the PCTR than PPR dye, with CdS NWs, stands as the substratum for the dramatic improvement observed in both the Jsc and Voc attributes. This growth interprets into an overwhelming 2.6-fold and 2.0-fold enhancement in the overall solar cell performance for PCTR and PPR dyes respectively, exceeding the ability of CdS NWs under standard light conditions. Improving external quantum efficiency (EQE) and impeccably correlating with results of complex optical investigations. This significant achievement intends to highlight solar energy conversion approaches and alter the field of light-driven technologies.