Efficient inverted HTL-free Sm$_2$NiMnO$_6$-based perovskite solar cell: a SCAPS-1D study

Abstract: The transition to sustainable energy has accelerated research into perovskite solar cells (PSCs) as promising candidates for next-generation photovoltaics. Despite their remarkable efficiencies, the commercialization of PSCs is hindered by lead toxicity and material instability. In this study, we explore a lead-free Samarium-based double perovskite oxide Sm$_2$NiMnO$_6$ (SNMO), as the active absorber layer in an innovative inverted HTL-free PSC architecture. Using SCAPS-1D simulations, we optimized the device configuration to achieve a power conversion efficiency (PCE) of 10.93% with an open-circuit voltage (VOC) of 0.8 V, a short-circuit current density (JSC) of 16.46 mA/cm2, and a fill factor (FF) of 82.14%. We demonstrate that increasing the SNMO absorber thickness enhances light harvesting in the red spectrum region (~620 nm), shifting the external quantum efficiency (EQE) peak from 380 nm at 50 nm thickness to about 620 nm at 1 um. We also investigated various electron transport layers (ETLs) and found that the indium tin oxide (ITO) exhibited superior PV performances, boosting the PCE to ~12.6% due to its excellent conductivity and optimal energy band alignment with SNMO. These findings establish SNMO as a promising absorber material for environmentally friendly PSCs, paving the way for cheaper, simpler, scalable, and sustainable photovoltaic solutions. This work highlights the potential of HTL-free architectures in reducing costs and complexities while maintaining competitive efficiencies, offering a significant step forward in advancing lead-free solar technologies.