Theoretical Revelation of Cu3BiS3-Based Thin Film PV Cell Exerting Various Carrier Transport Layers

Recently, Cu₃BiS₃ compound has exhibited great potential as a material for the absorber layer in solar cell applications owing to its favorable bandgap of 1.24 eV, abundance, high absorption coefficient, and capacity for cost-effective production. This study demonstrates the detailed simulation of various kinds of Cu₃BiS₃ heterostructured solar devices using SCAPS 1D software. The CdS, In₂S₃, Zn(O,S), and ZnSe compounds are employed as electron transport layers (ETLs) in conjunction with Cu₃BiS₃ to determine the optimal condition. The n-ZnSe/p-Cu₃BiS₃ structure outperforms CdS, In₂S₃, and Zn(O,S) ETLs by providing a short circuit current (J_SC) of 31.38 mA cm⁻², an open circuit voltage (V_OC) of 0.80 V, an 81.49% fill factor (FF), and a power conversion efficiency (PCE) of 20.45%. Adding different back surface field (BSF) layers, such as AlSb, BaSi₂, CGS, and PEDOT:PSS, on the other hand, makes J_SC, V_OC, and FF much higher, which eventually improves PCE. Use of AlSb, CGS, BaSi₂, and PEDOT:PSS as BSF layers raises the V_OC in the range of 0.92 to 0.96 V. The presence of each BSF layer boosts the current by ≈5 mA cm⁻². Finally, the PCE of Cu₃BiS₃ devices rise to ≈29.25% for AlSb, CGS, and PEDOT:PSS BSFs, and 28.69% for BaSi₂ BSF.