Design and structure optimization of <i>p</i> -NiO/MAPbI ₃ / <i>n</i> -ZnO perovskite solar cell with improved performance

In response to the growing demand for energy and environmental sustainability, this study focuses on designing and analyzing a p-NiO/MAPbI 3 /n-ZnO perovskite solar cell to enhance its performance. The structure employs [Formula: see text] [Formula: see text]nm thick p-NiO and n-ZnO layers as the hole and electron transport layers (HTL and ETL), respectively, with MAPbI 3 serving as the active absorbing layer due to its superior light absorption. Key parameters such as energy band alignment, electric field distribution, charge densities, generation and recombination rates and carrier currents were evaluated. Under AM 1.5 illumination at 1000[Formula: see text]W/m 2 , the device demonstrated [Formula: see text] [Formula: see text]V, [Formula: see text] [Formula: see text]mA/cm 2 , fill factor [Formula: see text] and power conversion efficiency [Formula: see text]. To further assess performance, the perovskite layer thickness was varied between 0.2[Formula: see text] [Formula: see text]m and 1.2[Formula: see text] [Formula: see text]m. Results indicated that increasing the MAPbI 3 thickness to 1.2[Formula: see text] [Formula: see text]m significantly improved efficiency to [Formula: see text]. These findings suggest that the proposed device structure can effectively harness solar energy with enhanced efficiency while supporting environmental sustainability.