Performance optimization of the PbS-quantum dot solar cell by the selection of suitable ETL through numerical simulation

Abstract

Quantum dots composed of lead Sulphide (PbS) are garnering significant interest for their potential to enhance the efficiency of solar cells. These materials exhibit outstanding qualities such as high quantum yield, adjustable band gap, cost-effectiveness, improved stability, and easy tunable electronic properties. Our research achieved an impressive energy conversion efficiency of 23.29% by replacing a suitable electron transport layer (ETL) in the architecture ITO/ETL/PbS-TBAI/MoO₃/Au. Advanced computational techniques, specifically SCAPS-1D, have been utilized to theoretically study the solar cell, allowing for detailed exploration of device performance before fabrication. Computational modelling is crucial in predicting key parameters such as efficiency, short circuit current density, open circuit voltage, and fill factor, enabling us to optimize the design iteratively and efficiently. Furthermore, we examined energy band alignment, current density–voltage characteristics, quantum efficiency curves, and the composition and arrangement of materials to refine device architecture. This approach not only enhances our understanding of the underlying physics but also accelerates the development of high-performance solar cells based on PbS quantum dots.