Simulation and Numerical Analysis Performance for Double Absorber Lead-Free Perovskite Solar Cell Using SCAPS-1D Software

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Original abstract

Lead-based perovskite solar cells (PSCs) offer a silicon-free alternative, but their inherent toxicity has driven the search for safer, environmentally friendly options. While initial lead-free materials faced challenges with some lead-free materials showing lower power conversion efficiency (PCE), recent advancements suggest the potential for a higher theoretical PCE in certain lead-free perovskites. This study investigates the performance of lead-free double absorber PSCs utilizing various A3BX3 inorganic halide perovskites, specifically focusing on Sr3BX3 (B=Sb/P/As; X=I/Br) materials. Using the one-dimensional Solar Cell Capacitance Simulator (SCAPS-1D) software, this research investigates various double absorber device architectures. The simulated structure consists of Fluorine-doped Tin Oxide (FTO) as the Transparent Conductive Oxide (TCO), either CdS or ZnSe as the electron transport layer (ETL), Sr3PI3 as the top perovskite absorber, and either Sr3SbI3 or Sr3AsI3 as the bottom perovskite absorber, in a hole-transport-layer (HTL)-free configuration with a gold (Au) back contact. The performance of these novel configurations was evaluated under an AM1.5 standard spectrum, incorporating realistic defect parameters at a temperature of 300K, to identify pathways for highly efficient and sustainable solar energy harvesting. The research demonstrates the promising performance of a peak PCE of 34.73% for Sr3AsI3 and Sr3PI3, which are strong candidates for next-generation solar cell absorbers, pairing with ZnSe as a suitable ETL.

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