Numerical simulation of solar cell performance with copper-based layered perovskite using SCAPS-1D software

Perovskite solar cells (PSCs) have garnered extensive research interest due to their potential for efficient, flexible, and cost-effective solar energy production, making them suitable for wearable and low-cost applications. In this study, we successfully synthesized layered copper-based perovskite materials, and subsequently conducted simulations using the Solar Cell Capacitance Simulator SCAPS-1D. This study introduces, a PSC structure with (CH₃NH₃)₂CuCl₄ as the active layer. By employing a two-step chemical method, we have successfully synthesized (CH₃NH₃)₂CuCl₄, and its optical band gap was determined using Tauc’s extrapolation method. Utilizing the experimentally determined bandgap as the simulation input, we predicted a solar architecture consisting of glass substrate/fluorine-doped tin oxide/TiO₂/(CH₃NH₃)₂CuCl₄/spiro-OMeTAD/Pt, which exhibited an impressive conversion efficiency of 27.93% along with a fill factor of 62.04%, J _sc of 34.39 mA cm⁻², and V _oc of 1.31 V. Through the software, we conducted a comprehensive study on the impact of back metal contact, hole transport layer, electron transport layer, layer thickness, temperature, and defect density on the overall device performance. These results unveil the development of an environmentally friendly PSC based on methylammonium copper.