Simulation and optimization of triple cation Perovskite solar cell using SCAPS-1D

Triple cation (Csx(MA0.17FA0.83)1-xPb(I0.83Br0.17)3) perovskites have attracted extensive attention owing to their excellent stability and photovoltaic performance. In this work, an efficient perovskite solar cell with a structure of TiO2/Csx(MA0.17FA0.83)1-xPb(I0.83Br0.17)3 (CsFAMA)/CuSCN was proposed and optimized theoretically using the solar cell simulator capacitance software (SCAPS-1D). This study optimized the parameters of the absorber layer, such as the thickness, doping density, defect density and bandgap. In addition, the electron transport layer (ETL) and the hole transport layer (HTL) are optimized by varying their electron affinity, thickness and doping density. It was found that the optimization of the absorber layer thickness and doping density provided a significant improvement in the efficiency of the device, while the parameters of both ETL and HTL showed minor influence on the device performance. Moreover, the operation temperature was discussed to provide further insight concerning the device performance. It showed that an increase of the operation temperature from 300 to 700 K resulted in reduction of device performance. And the CsFAMA-based device showed the highest power conversion efficiency (PCE) of 28.66% at 300 K with fill factor (FF) of 83.18%, open circuit voltage (Voc) of 1.48 V and short circuit current density (Jsc) of 23.27 mA/cm2. The optimized values of the absorber thickness, defect density and doping density were found to be 500 nm, 2.6 × 1013 cm−3 and 1 × 1016 cm−3, respectively. The findings of this study suggest CsFAMA-based absorber materials can play an important role in high efficiency perovskite solar cells with excellent stability.