Inorganic CsPbI2Br as Potential Absorber Layer for Perovskite Solar Cells: Theoretical and Experimental Study

Abstract Herein, we reported the numerical simulation studies of the metal halide perovskite solar cells (MHPSCs) using solar cell capacitance one‐dimensional (SCAPS‐1D). CsPbI 2 Br perovskite has been adopted as the absorber layer and thickness of the absorber layer has been optimized to improve the performance of the simulated MHPSCs. Various electron transport layers (ETLs) and hole transport layers (HTLs) were explored for the optimization of high performance MHPSCs. The simulation studies demonstrated excellent efficiency of 20.22 % for the optimized device structure of FTO/SnO 2 /CsPbI 2 Br/PTAA/Au using SCAPS‐1D. The experimental study was also conducted to explore the potential of the simulation investigations. The MHPSCs device (FTO/SnO 2 /CsPbI 2 Br/PTAA/Au device) was fabricated under controlled humidity (40 %). The CsPbI 2 Br layer was grown on FTO substrate and its phase purity, crystallinity, surface morphological, and optical properties were determined by using X‐ray diffraction, and ultraviolet‐visible absorption spectroscopy. The fabricated MHPSCs showed decent efficiency of 14.4 %.