Optimization of Photovoltaic Environment for Enhanced Performance of GA$_0.053$MA$_0.947$PbI$₃$-Based Perovskite Solar Cell

Hybrid halide perovskites (HHPs) have achieved unprecedented advancement and considered as the potential candidates for the next generation of photovoltaics. However, MAPbI $₃$ (MA $^+$ = CH $₃$ NH $₃^+$ )-based perovskite solar cells (PSCs) are extensively examined both on theoretical and experimental fronts. Compositional engineering, i.e., doping in the absorber layer (MAPbI $₃$ ) of HHP solar cells, seems to be very fruitful for improving overall photovoltaic performance and also the stability of PSC. In the present study, we perform a device optimization of GA-doped MAPbI $₃$ -based PSC using numerical simulations. For better performance, several materials have been proposed as hole transport layer (HTL) and electron transport layer (ETL). Among them, zinc oxide (ZnO) and copper (I) oxide (Cu $₂$ O) are found to be the most suitable ETL and HTL, respectively. In addition, the effect of various parameters, such as defect density and thickness of absorber layer have been investigated. Moreover, it has been found that the work function of the back contact electrode plays a vital role and its value should be more than 5 eV for the better performance of the proposed device. After considering all the optimized parameters, the proposed GA-doped MAPbI $₃$ -based perovskite solar cell exhibits remarkable photovoltaic performance with a fill factor of 75.13% and power conversion efficiency of 24.61%. The present work contains sufficient information for the experimentalists to design solar cells containing GA-doped MAPbI $₃$ absorber layer.