Modeling the Impact of Absorber Layer Defect Density on Ca₃NI₃-based Solar Cells: A Numerical Analysis

This work indicates notable progress in the photovoltaics domain, with a specific emphasis on perovskite solar cells (PSCs) developed utilizing Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>. The research investigates the bulk defect density (N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">t</inf>) values, namely from 10<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">15</sup> to 10<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">20</sup> cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">−3</sup>. It provides in-depth analysis using photovoltaic (PV) characteristics. The study used the SCAPS-1D simulation program to simulate the suggested architecture of PSC based on Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf> and improve its parameters. The results emphasize the significant impact of the absorption layer N<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">t</inf> on the PV characteristics, emphasizing the need for accurate thickness management to enhance the performance of PSCs. The research showcases the significant capacity of Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf> based PSCs as a viable and economical approach for generating renewable energy. Furthermore, it highlights the favorable potential of Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf> PSCs in conjunction with CdS as the electron transport layer (ETL) for advancing more durable, environmentally friendly, and effective PSC heterostructures. The research suggests that the PV parameters reach their highest levels when the number of defects in Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>-based PV cells is limited. The performance of the cells improves significantly when the defect concentration is at 10<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">15</sup> cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">−3</sup>. When the defect circumstances are minimal, the fill factor (FF) reaches 75.5%, the short-circuit current density (J<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">SC</inf>) is 38.48 mA/cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>, the open-circuit voltage (V<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">OC</inf>) is 0.57 V, and the power conversion efficiency (PCE) is 16.78%. Continuing research endeavors to address existing obstacles and further improve the effectiveness of Ca<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>-based PSCs, strengthening their feasibility as a sustainable energy option.