Computational Modelling of Lead Free FASnI₂Br with Copper‐Doped Strontium Titanate and Conductive Metal‐Organic Frameworks as Charge Transport Layers

The development of photovoltaic technology is hindered by challenges including toxicity, stability, and the high cost of solar cells. To address this, our research focuses on lead‐free perovskite solar cells (PSCs) utilizing Formamidinium Tin Iodide Bromide (FASnI 2 Br) as a non‐toxic, wide‐bandgap absorber material. We employed SCAPS‐1D software to model cell architecture, pairing FASnI 2 Br with a copper‐doped strontium titanate as electron transport layer. We also investigated metal‐organic frameworks, such as copper hexahydroxytriphenylene (Cu3(HHTP)), as superior alternatives to conventional hole transport layer. After optimizing key parameters, the fluorine‐doped tin oxide/FASnI 2 Br/Cu3(HHTP) configuration achieved a maximum power conversion efficiency of 24.26%, with an open‐circuit voltage of 1.53 V, a short‐circuit current density of 18.77 mA cm −2 , and a fill factor of 85.25% at 300 K. This study provides a pathway for designing efficient, stable, and eco‐friendly PSCs.