Numerical Analysis and Performance Improvement of Lead-Free Perovskite Solar Cell

Recently, researchers and scientists have shown a heightened interest in lead-free perovskite materials because of the toxicity issues associated with lead-based options. Tin (Sn), a group 14 metal similar to lead, has gained attention as a viable alternative. In our study, we employed the SCAPS-1D numerical analyzing tool for optimizing the performance of an n-i-p structured heterostructure solar cell which is perovskite-based (PSC), planar and lead-free, comprising CH<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NH<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>SnI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf> (methylammonium tin iodide) as the intrinsic (i) and p-layer, with CZTSSe, MOO3, and NiO serving as the hole transport layers (BTL) and SnO<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> as the electron transport layer (ETL). The thickness of the ETL and the defect density of the HTL layer were carefully evaluated, noting that the absorption coefficient inversely correlates with defect density. Our observations revealed that as the HTL layer defect density increases, the device's performance diminishes. Through meticulous adjustment of the ETL's thickness, HTL's defect density, and temperature, we achieved a notable efficiency of 26.86%, with a short circuit current of 33.40 mA/cm2, an open circuit voltage of 0.99 V, and 81.43% fill factor for solar cell design (FTO/ SnO<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf>/ CB<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>NH<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>SnI<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>/ CZTSSe/ Au).