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

Abstract

In this study, a photovoltaic (PV) device has been developed by using AgBiS 2 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, In 2 S 3 , and ZnSe, alongside six familiar compounds, AlSb, CuGaSe 2 (CGS), CuS, MoS 2 , Sb 2 S 3 , and WSe 2 , as the back surface field (BSF) layers. These heterostructures aim to uncover the potential of AgBiS 2 in the realm of photovoltaic technology. When AgBiS 2 functions within a singular heterojunction, specifically in configurations such as n-CdS/p-AgBiS 2 , n-In 2 S 3 /p-AgBiS 2 , and n-ZnSe/p-AgBiS 2 , 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/cm 2 , 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, MoS 2 , Sb 2 S 3 , and WSe 2 results in a substantial increase in V OC , leading to an enhancement in PCE. Among the AgBiS 2 based different dual-heterostructures, the outstanding PCE of 30.04% with a V OC of 1.12 V is achieved by n-ZnSe/p-AgBiS 2 /p + -Sb 2 S 3 device. In comparison, the n-ZnSe/p-AgBiS 2 /p + -CGS structure exhibits a similar PCE of 30.03% with a V OC of 1.12 V. Additionally, the n-ZnSe/p-AgBiS 2 /p + -MoS 2 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/AgBiS 2 and AgBiS 2 /MoS 2 , ZnSe/AgBiS 2 and AgBiS 2 /CGS, as well as ZnSe/AgBiS 2 and AgBiS 2 /Sb 2 S 3 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 In 2 S 3 might provide a lower efficiency. The elaborate simulation findings highlight the substantial potential of AgBiS 2 as an absorber, particularly when coupled with different windows and BSF layers. This opens avenues for experimental research focused on AgBiS 2 in the era of photovoltaic cells.