Analysis of performance parameters and efficiency enhancement of double halide inorganic Ti-based (Cs ₂ TiI ₆ ) perovskite solar cell using SCAPS-1D

Abstract Excluding toxic lead content, inorganic titanium-based compound (CS 2 TiI 6 ) emerges as a promising candidate for third-generation perovskite solar cell (PSCs) applications. In this research article, the efficient CS 2 TiI 6 is utilized as the perovskite absorber material, and a comprehensive investigation is executed by solar cell capacitance software (SCAPS-1D). The inorganic Ti-based PSC is optimized under various conditions: temperature, film thickness, energy gap, defect, and carrier concentration. Additionally, simulations were performed by changing two key factors: electron transport materials (ETMs) and hole transport materials (HTMs). After analyzing different structures, the highest efficiency was obtained for structure TCO/SnO 2 /Cs 2 TiI 6 /CdTe/ Pt and TCO/ZnO/Cs 2 TiI 6 /CdTe /Pt, respectively, at 300 K temperature with absorber layer band gap 1.5 eV, thickness 700, and defect density 10 11 cm −3 . The device demonstrated the highest power conversion efficiency (PCE) of 30% approximately and a quantum efficiency (QE) of 98% with a wavelength of 360 nm, accompanied by an open circuit voltage (V OC ) of 1.21 V, a short circuit current density (J SC ) of 30 mA cm −2 , and a fill factor (FF) of 88.6%.