Numerical Expedition on the Potential of AgBiS2-Based Thin Film Solar Cells Employing Different Carrier Transport Layers

In this study, a photovoltaic (PV) device has been developed by using AgBiS₂ as the key material. The simulation of the photovoltaic cell has been performed using the SCAPS-1D simulator to analyze the impact of each layer. The design incorporates three window layers, CdS, In₂S₃, and ZnSe, alongside six familiar compounds, AlSb, CuGaSe₂ (CGS), CuS, MoS₂, Sb₂S₃, and WSe₂, as the back surface field (BSF) layers. These heterostructures aim to uncover the potential of AgBiS₂ in the realm of photovoltaic technology. When AgBiS₂ functions within a singular heterojunction, specifically in configurations such as n-CdS/p-AgBiS₂, n-In₂S₃/p-AgBiS₂, and n-ZnSe/p-AgBiS₂, the resulting values for open-circuit voltage (V _OC) and the short circuit current (J _SC) are found to be ∼0.90 V and ∼32 mA/cm², respectively, while the corresponding power conversion efficiencies (PCE) are 23.56%, 22.60%, and 23.62%, respectively. On the contrary, the incorporation of various BSF layers like AlSb, CGS, CuS, MoS₂, Sb₂S₃, and WSe₂ results in a substantial increase in V _OC, leading to an enhancement in PCE. Among the AgBiS₂ based different dual-heterostructures, the outstanding PCE of 30.04% with a V _OC of 1.12 V is achieved by n-ZnSe/p-AgBiS₂/p⁺-Sb₂S₃ device. In comparison, the n-ZnSe/p-AgBiS₂/p⁺-CGS structure exhibits a similar PCE of 30.03% with a V _OC of 1.12 V. Additionally, the n-ZnSe/p-AgBiS₂/p⁺-MoS₂ arrangement demonstrates a PCE of 29.95% and a V _OC of 1.12 V. The effective band alignments observed at the interfaces of ZnSe/AgBiS₂ and AgBiS₂/MoS₂, ZnSe/AgBiS₂ and AgBiS₂/CGS, as well as ZnSe/AgBiS₂ and AgBiS₂/Sb₂S₃ contribute to a substantial built-in potential, leading to an elevated V _OC. As an alternative to ZnSe, the CdS window could offer similar performances, whereas In₂S₃ might provide a lower efficiency. The elaborate simulation findings highlight the substantial potential of AgBiS₂ as an absorber, particularly when coupled with different windows and BSF layers. This opens avenues for experimental research focused on AgBiS₂ in the era of photovoltaic cells.