Numerical investigation of Aloe Vera-mediated green synthesized CuAlO2 as HTL in Pb-free perovskite solar cells.

This study explores green-synthesized delafossite CuAlO₂ as a hole transport layer (HTL) in a CH₃NH₃SnI₃-based perovskite solar cells (PSCs) with an FTO/CuAlO₂/CH₃NH₃SnI₃/WO₃/Au structure. The performances of the cell have been theoretically investigated using SCAPS-1D. Interface defects significantly impact cell efficiency, as defect density increases from 10¹⁴ cm⁻³ to 10²⁰ cm⁻³ efficiency reducing from 25.3% to 24.45% in the HTL/perovskite junction and from 25.2% to 17.8% in the perovskite/electron transport layer (ETL) interface. PCBM as buffer layer at perovskite/ETL interface compensates for power conversion efficiency (PCE) losses. Optimizing parameters reveals the delafossite CuAlO₂-based, lead-free perovskite solar cell achieving peak efficiency at 26.74%, with V_OC, J_SC, and FF values of 0.99 V, 33.43 mA cm⁻², and 81.05%, respectively. This research underscores delafossite CuAlO₂ as a promising HTL for eco-friendly, stable CH₃NH₃SnI₃-based perovskite solar cells, emphasizing its potential in enhancing device performance. [ABSTRACT FROM AUTHOR]