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.
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