Optimization of Pb based Perovskite CsPbI₂Br Photovoltaic Cell Using SCAPS-1D

Abstract

The continuous demand for efficient, low-cost, and environmentally stable photovoltaic devices has driven significant research interest toward all-inorganic perovskite solar cells [1]. In this context, the present work focuses on the numerical simulation and performance optimization of CsPbI₂Br-based perovskite solar cells employing the SCAPS-1D simulation software [16]. The device architecture proposed in this study consists of the structure FTO/TiO₂/CsPbI₂Br/CuSCN/Au. The simulation approach involved systematically analyzing the effects of layer thickness, carrier concentration, and operational parameters to provide comprehensive insight into the device physics and identify the key factors influencing performance. Initially, the influence of the electron transport layer (ETL) thickness on the device characteristics was studied. It was observed that the variation in ETL thickness had a minimal effect on the open-circuit voltage (Voc) and short-circuit current density (Jsc), indicating the robustness of charge extraction through the TiO₂ layer. The hole transport layer (HTL) thickness was also varied, and similar minimal dependency was noted. However, excessive thicknesses could lead to unwanted series resistance and slight deterioration of the fill factor (FF) and power conversion efficiency (PCE). The results indicated the relatively high thermal stability of CsPbI₂Br-based solar cells compared to their organic-inorganic hybrid counterparts. The best-performing device configuration yielded an impressive PCE of 12.21% under standard AM1.5G illumination and optimized simulation conditions. These results underscore the significance of precise control over material and structural parameters to attain high-efficiency perovskite solar cells. The findings of this study are expected to contribute to the ongoing research and development of all-inorganic perovskite photovoltaic devices and offer theoretical guidance to experimentalists seeking to fabricate high-performance, stable, and scalable solar cells. This research highlights the potential of CsPbI₂Br as a promising candidate for next-generation photovoltaics, providing insights into material engineering and device architecture that can lead to the development of commercially viable solar technologies.