Modeling and Simulation of Lead-Free Novel RbSiF₃-Based Perovskite Solar Cell Utilizing SCAPS-1D

Halide-based perovskites show immense promise as efficient, affordable, and easily-fabricated flexible solar cells. But ensuring their long-term stability and establishing them as environmentally friendly, lead-free alternatives is still a real challenge. Therefore, in this work, Rubidium Silicon Fluoride <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$(\mathbf{RbSiF}_{\mathbf{3}})-\mathbf{based}$</tex> Pb-free perovskite solar cells (PSCs) were numerically modeled and studied using the Solar Cell Capacitance Simulator (SCAPS-1D). Here, a novel cell architecture, <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$\mathbf{ITO}/\mathbf{PCBM}/\mathbf{RbSiF}_{\mathbf{3}}/\mathbf{CuI}/\mathbf{Au}$</tex>, has been proposed, where a novel material, <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$\mathbf{RbSiF}_{\mathbf{3}}$</tex>, is explored as an absorber layer with an optimum thickness of 800 nm. After analyzing and optimizing several parameters like thickness, bandgap, and metal work function of back contact, it was found that this PSC shows: 0.9140V as voltage at open circuit (Voc), <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$\mathbf{23.70}\ \mathbf{mA}/\mathbf{cm}^{\mathbf{2}}$</tex> as short circuit current density (Jsc), 82.20% fill factor (FF), and 15.23% efficiency (PCE). Besides, to achieve higher efficiency from the proposed PSC structure, series resistance should be very small, but shunt resistance should be kept high, and an optimum temperature of 27°C has to be maintained.