Device Optimization of CsPbI 2 Br-based Inorganic Perovskite Solar Cells using Different Hole and Electron Transport Layers via SCAPS-1D

Abstract

Perovskite solar cells (PSCs) have attracted considerable attention due to their high-power conversion efficiency (PCE) of more than 25% in recent years. However, the thermal instability of these devices is still a challenge for their commercialization. Recently, all-inorganic PSCs based on CsPbI₂Br emerged as a new potential candidate for photovoltaic applications due to their long-term thermal stability. The SCAPS-1D software is used to analyze the device parameters of inorganic perovskite solar cells (n-i-p configuration) with varying hole transport layers (HTLs) and electron transport layers (ETLs). Initially, different HTLs such as CuI, Cu₂O, CuSCN, and MoO_x are employed keeping ETL (TiO₂) and the absorber layer (CsPbI₂Br) fixed. The highest performance is obtained for devices containing CuSCN as HTL. Furthermore, device performance is further checked by varying the ETL such as ZnO, WS₂, and SnO₂ keeping HTL (CuSCN) and absorber layer (CsPbI₂Br) constant. The results showed that the device with configuration FTO/TiO₂/CsPbI₂Br/CuSCN/Fe shows better performance. In addition, for each device configuration, the effect of the charge transport layer’s thickness, the effect of absorber layer thickness, band gap, and defect density on the performance of the device has also been studied to obtain the best device performance. The thickness of the charge transport layers, and the absorber layer greatly affect the transport of photo-generated charges within the device,The here the highest power conversion efficiency (PCE) obtained for n-i-p configuration with TiO₂ (10 nm), CuSCN (30 nm) and absorber layer CsPbI₂Br (520 nm) is 14.66%.The corresponding fill factor (FF) for the given configuration is 76.57%, with short circuit current density (J_SC) of 16.4 mA/cm², and open circuit voltage (V_OC) of 1.16 V.