SCAPS simulation and design of highly efficient CuBi₂O₄-based thin-film solar cells (TFSCs) with hole and electron...

The continued rise in global temperatures and climate change has increased the demand for renewable energy sources. Recent developments in thin-layer photovoltaic cells have improved power output, affordability, and overall efficiency, spurred by the growing demand for renewable energy sources. In this study, numerical simulations of solar cells utilizing (SCAPS-1D) were employed to examine the efficiency of a CuBi₂O₄-based thin-film solar cell (TFSC). The CuBi₂O₄ absorber layer, known for its stability and optimal bandgap, was integrated with a Cu₂O hole transport layer (HTL), CdS buffer layer, and TiO₂ electron transference layer (ETL). Numerous constraints, including layer thickness, bandgap, and carrier concentration, were augmented to enhance the photovoltaic characteristics, such as fill factor (FF), open-circuit voltage (V_oc), efficiency (η) and short-circuit current density (J_sc). The study differentiates itself with a device structure constructed from Au/Cu₂O/CuBi₂O₄/CdS/TiO₂/FTO, which has impressive characteristics such as an open-circuit voltage of 1.2 V, a short-circuit current density of 32.85 mA/cm², a fill factor of 88.42%, and an efficiency of 34.98% at lower defect density, although this efficiency exceeds the theoretical limit established by Shockley-Queisser limit for single-junction solar cells, it is essential to recognize that limit does not consider real-world constraints such as nonradiative recombination. The reported power conversion efficiency (PCE) of 32.56% was obtained under idealized simulation conditions, characterized by minimal bulk and interfacial defect densities. These findings not only affirm the promise of CuBi₂O₄ as an eco-friendly, low-cost absorber material but also underscore the importance of accounting for both intrinsic and extrinsic defect mechanisms in simulation-driven photovoltaic design.