Performance optimization of double Perovskite solar cells via absorber thickness engineering, charge transport layer selection, and temperature effects using SCAPS-1D simulation

Abstract

This study optimises the performance of lead-free double perovskite solar cells (DPSCs) by SCAPS-1D simulation, focusing on absorber layer thickness, charge transport layer (CTL) selection, and thermal stability. A conventional n-i-p architecture with inorganic electron transport layer (ETL) and hole transport layer (HTL) was utilized. The absorber thickness was varied from 200 nm to 800 nm, revealing that increased thickness increases short-circuit current density (Jsc) due to improved light absorption, while open-circuit voltage (Voc) and fill factor (FF) decreases due to increased recombination and resistance losses, resulting in the optimal thickness for maximum efficiency. The effect of various HTLs and ETLs was studies, CuSbS₂ and MoS₂ outperformed other HTLs, but WS₂ outperformed ETLs due to better band alignment and charge transport. CdS demonstrated the weakest performance because of substantial recombination losses. A temperature-dependent investigation of the optimized WS₂/MoS₂ device demonstrated considerable declines in Voc, FF, and power conversion efficiency (PCE) with rising temperature, but Jsc was reasonably steady. This device performed optimally at about 300 K, highlighting temperature sensitivity as a constraint. These findings provide practical design guidelines for thermally stable, high-efficiency lead-free double perovskite solar cells.