Advanced perspectives on chalcogenide perovskite solar cells using CZTS as HTL for optimum efficiency

This work proposes a chalcogenide perovskite solar cell (PSC) using n-i-p planar heterojunction. Chalcogenide perovskites BaZrS 3 are the absorber layer, is followed by a copper-zinc and tin sulphide (CZTS), which will serve as a hole-transporting layer (HTL). The solar cell structure comprises titanium oxide (Tio 2 ) placed on a fluorine-doped tin oxide (FTO) substrate; this substance will act as an electron-transporting layer. In addition to having strong electrical characteristics and stability, this compound is used because of its straightforward production method and band tuning. It is an inorganic substance that is also inexpensive and non-toxic. As a back contact, gold (Au) is then positioned. The simulations were run under AM 1.5G light brightness, emphasizing attaining the suggested solar cell's optimum performance. The parameters that were optimized in the solar cell device included acceptor concentration, BaZrS 3 and CZTS thickness, band gap of CZTS, and temperature range within 300 K–500 K. Additionally, the best electrical values were obtained with the application of the optimum parameters: J SC of 32.04 mA/cm 2 , Voc of 1.32 V, FF of 80.30 %, and PCE of 32.26 %. The device's construction could be applied in solar energy gathering system applications because of the improved performance parameters. • Novel PSC design with BaZrS 3 absorber and CZTS HTL for eco-friendly photovoltaics. • CZTS is used as HTL to boost efficiency while ensuring an eco-friendly device architecture. • Device performance optimized via SCAPS-1D simulations under AM 1.5G illumination. • Achieved high PCE of 32.26 % with JSC = 32.04 mA/cm 2 and VOC = 1.32 V. • The device shows promise for stable, non-toxic, and efficient solar energy applications.