In Silico Investigations of the Performance Characteristics of Agbis2 Solar Cell using Solar Cell Capacitance Simulator – 1 Dimension (SCAPS-1D)

The research presents a theoretical investigation of a layered structure of ITO/ZnO/AgBiS2/Spiro OMeTAD/MoO3/Ag of AgBiS2 photovoltaic cells. The top layer is composed of indium tin oxide (ITO) as a window layer, while intrinsic ZnO serves as the electron transport layer (ETL), a p-type AgBiS2 absorber layer followed by two distinct hole-transport layers (HTLs), namely spiro-OMeTAD and molybdenum trioxide (MoO3) and (Ag) serving as the back contact. This study aims to examine the effects of Spiro-OMeTAD HTL on the efficiency of an AgBiS2-based heterostructure solar cell. The consequences of optimising various parameters, such as absorber thickness, absorber defect density, molybdenum trioxide (MoO3) thickness, and temperature on the device efficiency were studied. The initial model achieved an efficiency of 9.62%, further enhanced to 11.86% by incorporating MoO3 as a secondary hole transport layer. Optimising the MoO3 thickness yielded a peak efficiency of 12.40%. Increasing the absorber thickness led to improved light absorption and carrier generation, with the highest performance of 14.16% achieved at 200 nm. Defect density variations from 1010 to 1020 cm-3 had a minimal impact on device performance, indicating the device's resilience to moderate defect changes. Temperature studies revealed an optimal operating range below 310 K, with the highest efficiency of 15.34% obtained at 280 K. These findings provide valuable understanding into the potential of AgBiS2-based solar cells and the key parameters for performance optimisation. Hence, the device's resilience to moderate defect changes and the importance of temperature management for maximising the efficiency of AgBiS2-based solar cells.