Simulation and optimization of all-inorganic CsPbI₂Br perovskite for photovoltaic applications

CsPbI₂Br maintains the optimal balance between phase stability and optical bandgap among all-inorganic perovskite materials. Nevertheless, the photovoltaic efficacy of CsPbI₂Br-based perovskite solar cells (PSCs) is continually reduced by interfacial defects and improper band alignment despite these advantages. The SCAPS-1D simulation is employed in the current study to perform a thorough examination of the operational principles of CsPbI₂Br-based devices. The working principles of CsPbI₂Br-based devices are comprehensively analyzed in the present investigation using SCAPS-1D simulation. In an effort to optimize the performance of the FTO/ETL/CsPbI₂Br/HTL device in terms of power conversion efficiency (PCE), the effect of thickness, operating temperature, series, and shunt resistance, as well as a variety of physical parameters, such as doping concentration and defect density, are systematically examined. The simulation results confirmed that the appropriate band structure of PSCs facilitates the efficient separation and transportation of carriers. Furthermore, it was determined that the operational temperature and defect density had a substantial impact on the devices' functioning mechanism. The photovoltaic performance of the CsPbI₂Br PSCs was significantly improved as a consequence of the optimization of the physical factors. The objective of this paper is to provide valuable insights into the optimal design considerations for the processing of high-performance CsPbI₂Br-based PSCs in future photovoltaic applications.