Simulation-Based Optimization of the Performance of a CsPbI3 (Cesium Lead Triiodide) Perovskite Solar Cell Using SCAPS-1D

In this work, we report a simulation optimization of the performance of a perovskite solar cell using the SCAPS-1D simulation program. We analyzed the influence of the perovskite layer thickness, as well as the thickness of the electron transport material (ETM) and hole transport material (HTM) layers, the concentration of Na acceptors, and the influence of other HTM materials on the performance of the CsPbI3 cell. The results acquired in simulation show that this type of perovskite solar cells can achieve a theoretical conversion efficiency of 24.2% at room temperature, with an open-circuit voltage of Voc = 1.45 V, a short-circuit current density of Jsc = 20.51 mA/cm2, and a form factor of FF = 81.57%. The validity of the proposed perovskite (CsPbI3) cell is proven by comparing its results with the recently published results, where the efficiency reached 19.1% in 2022, theoretically by M. Khalid Hossain and his collaborators and 18.4% experimentally in 2019 by Y. Wang and his collaborators. The efficiency we obtained is one of the highest power conversion rates compared to the recently published results. Considering these results, CsPbI3-type perovskite solar cells present a good compromise between conversion efficiency and manufacturing cost and can thus enable potential applications in large areas.