Optimization of Tin‐Doped CsPbBr 3 Perovskite‐Based Solar Cell: A Numerical Simulation Approach

Exceptional optoelectronic properties and rapidly improving efficiency of lead‐based perovskite solar cells (PSCs) make this renewable energy technology highly promising for commercialization. This study presents a comprehensive simulation‐based investigation of Sn 2+ ‐doped CsPbBr 3 PSCs using numerical modeling. Experimentally obtained optical bandgap and charge carrier mobility values were incorporated to enhance simulation accuracy. A total of eight device configurations were evaluated by varying the hole transport layer (HTL) to identify the most efficient architecture. The structure employing Cu 2 FeSnS 4 (CFTS) as the HTL and TiO 2 as the electron transport layer (ETL) exhibited superior performance due to their suitable bandgap and high charge carrier mobility, enabling efficient charge extraction and transport. Further optimization was performed by tuning HTL thickness, ETL thickness, absorber thickness, defect density, series and shunt resistance, operating temperature, and back contact work function. The optimized device achieved an open‐circuit voltage ( V oc ) of 1.06 V, short‐circuit current density ( J sc ) of 27.63 mA/cm 2 , fill factor of 71.22%, and a power conversion efficiency of 20.94%, significantly higher than the initial 8.83%. These results provide valuable design insights for developing high‐efficiency Sn 2+ :CsPbBr 3 ‐based PSCs for future photovoltaic applications.