Comprehensive Analysis for Low-Cost and Highly Efficient Perovskite Solar Cells Using SCAPS-1D with an Inexpensive Hole Transport Material, Electron Transport Material, and Back Contact Considering the Toxicity

Perovskite solar cells (PSCs) are rapidly advancing due to their high power conversion efficiencies (PCEs) and low fabrication costs. However, their commercialization is hindered by lead toxicity and the use of expensive materials, such as Spiro-OMeTAD and gold electrodes. This study presents a comprehensive SCAPS-1D simulation-based analysis of 14 perovskite absorber materials, spanning both Pb-based and lead-free compounds, under a unified device architecture using low-cost, nontoxic components: ZnO as the electron transport material (ETM), PEDOT:PSS + WO₃ as a dual hole transport material, and nickel as the back contact. Key device parameters, including absorber thickness, defect density, electron affinity, series resistance, and temperature, were systematically optimized. Among the materials evaluated, MASnI₃ exhibited the highest PCE of 27.98%, surpassing even MAPbI₃ (27.10%), and demonstrating its viability as a sustainable, nontoxic absorber. The proposed cell architecture achieves high efficiency at a total material cost below 4 euro/g, significantly reducing the economic barrier compared to conventional designs. This work establishes a scalable, eco-friendly PSC architecture and provides a simulation-driven framework to accelerate experimental development and industrial application.