Device modeling of high performance and eco-friendly based perovskite solar cell

Developing environmentally friendly and highly efficient inverted perovskite solar cells (PSCs) encounters significant challenges, specifically the potential toxicity and degradation of thin films in hybrid organic-inorganic photovoltaics (PV). We employed theoretical design strategies that produce hysteresis-reduced, efficient, and stable PSCs based on composition and interface engineering. The devices include a mixed-organic-cation perovskite formamidinium methylammonium tin iodide ( $$ ) as an absorber layer and zinc oxide (ZnO) together with a passivation film phenyl-C61-butyric acid methyl ester ( $$ ) as a double-electron transport layer (DETL). Furthermore, a nickel oxide (NiO) layer and a trap-free junction copper iodide (CuI) are used as a double-hole transport layer (DHTL). The optoelectronic characterization measurements were carried out to understand the physical mechanisms that govern the operation of the devices. The high power conversion efficiencies (PCEs) of 24.27% and 23.50% were achieved in 1D and 2D simulations, respectively. This study illustrates that composition and interface engineering enable eco-friendly perovskite solar cells, improving performance and advancing clean energy.