Nontoxic, Yet Highly Efficient Tin Sulfide Thin‐Film Solar Cells: Simulation Studies Using SCAPS‐1D

Tin sulfide (SnS) is an exceptionally promising absorber material for thin‐film solar cells due to its earth abundance, nontoxicity, suitable bandgap, and strong absorption in the visible spectrum. This study presents a comprehensive simulation analysis and optimization of various parameters of a novel SnS‐absorber‐based nontoxic solar cell employing SCAPS‐1D simulation software. The proposed device structure “AZO/Zn(O, S)/SnS/NiO/Mo” incorporates a Zn(O, S) nontoxic buffer layer positioned above the SnS, which optimizes band alignment and also functions as an electron transport layer (ETL). The NiO layer beneath the SnS layer, which is also a nontoxic material, serves as a hole transport layer (HTL), which enhances hole extraction and reduces rear‐side recombination losses. Through systematic optimization of material parameters and layer configurations, the simulated device achieved a power conversion efficiency (PCE) of 32.4%, with an open‐circuit voltage ( V oc ) of 1.05 V, short‐circuit current density ( J sc ) of 34.8 mA/cm 2 , and a fill factor (FF) of 88.4%. The results indicate that using the nontoxic combination of Zn(O, S) as ETL and NiO as HTL significantly improves the PCE of SnS‐based solar cells. This work provides a robust design framework for SnS‐based solar cells and contributes to the ongoing development of high‐efficiency, environmentally friendly thin‐film solar cell technologies.