Performance optimization of CsPbIBr₂-based perovskite solar cells through device modeling

Abstract

Among all-inorganic perovskite materials, CsPbIBr2 provides the optimal equilibrium between optical bandgap and phase stability. However, notwithstanding these advantageous, interfacial defects and improper band alignment continue to diminish the photovoltaic efficacy of CsPbIBr2-based PSCs. This study used the SCAPS-1D software to undertake a thorough examination of operating mechanism of CsPbIBr2-based devices. A comprehensive analysis is conducted on a range of physical parameters pertaining to the FTO/ZnOS/CsPbIBr2/CZTS configuration, encompassing doping concentration, operating temperature, defect density, electron affinity, thickness, series and shunt resistance. The simulation outcomes revealed that PSCs characterized by a low defect density and an ideal band structure enhance the performance of the devices by facilitating the transport and separation of charge carriers. The optimized device achieved an efficiency of 16.68%, short-circuits current density (JSC) of 11.52 mA/cm2, open-circuit voltage (VOC) of 1.64V, and Fill factor (FF) of 87.83%. These simulation findings will provide useful information for experimental fabrication of efficient CsPbIBr2-based inorganic PSC.