Development and Optimization of CZTS-Based Perovskite Solar Cells with Novel TCO and HTL Materials Using Scaps 1D: A Comprehensive Study on Enhancing Photovoltaic Performance and Stability

Based on copper, zinc, and tin sulfide (CZTS), perovskite solar cells have garnered a lot of interest because they may be less expensive and more ecologically friendly than conventional silicon-based solar cells. In this work, we report on the development and optimization of novel transparent conducting oxide (TCO) and hole transport layer (HTL) materials for CZTS-based perovskite solar cells. In particular, we study the application of PEDOT:PSS as the HTL layer, PC71BM as the electron transport layer (ETL), and CZTS as the TCO layer with an absorber layer of CsFAMA. With device performance metrics like the maximum power conversion efficiency (PCE) of 41.30%, fill factor (FF) of 84.99%, short-circuit current (Jsc) of 34.277406 mA/cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>, and open-circuit voltage (Voc) of 1.4175V, this study highlights the remarkable efficiency and promising potential of the proposed solar cell technology for next-generation photovoltaic applications. These findings highlight the significant contribution of this technology to enhancing energy conversion and promoting sustainable energy solutions. Moreover, this simulation study serves as a valuable tool for guiding the development of perovskite solar cells, assisting in the informed selection of material parameters to achieve remarkable efficiency levels, surpassing previous models.