Device modeling of all-inorganic CsPbI3 based perovskite solar cells: A numerical study

Lead-halide based perovskite solar cells (PSC's) have proven to be efficient and have extraordinary stability. CsPbI3 is thought to be a potential light-absorbing material for use in all-inorganic PSCs due to its advantageous bandgap and thermal stability. In contrast to the organic-inorganic hybrid PSCs counterpart, the CsPbI3 has a high defect density resulting in a lower PCE and less stable structure. In this study, we performed a device modeling of all-inorganic CsPbI3 using SCAPS-1D to improve its performance. Here, we have shown how various electron and hole transport layers (ETL & HTL) affect the performance of the CsPbI3 device. For this, the effect of dopant concentration, the thickness of HTL, ETL, and absorber layer along with optimization of back contact metal work function have been numerically investigated. Under the optimum condition, the best theoretical conversion efficiency of ∼27.04% was achieved for FTO/SnO2/CsPbI3/CuSbS2/Pd configuration, which is the highest theoretical value reported among CsPbI3-based PSCs. Based on these results, we concluded that all-inorganic CsPbI3 PSCs under these optimized conditions might help researchers improve this material experimentally for renewable energy applications. © 2023 The Authors