Efficiency and Reproducibility Enhancement in Perovskite Solar Cell With MoS₂ as Electron Transport Layer: A Computational Finding

Abstract

The formamidinium lead triiodide (FAPbI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> )-based perovskite solar cell (FPSC) is perceived as a potential replacement of conventionally exploited methylammonium lead triiodide (MAPbI <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> )-based PSC owing to its better stability. In this work, we explore the possibility of utilizing molybdenum disulfide (MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> ) as a prospective replacement of conventional titanium dioxide (TiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> ) (requires high processing temperature) as an electron transport layer (ETL) in FPSC using SCAPS-1D. The results are quantitatively compared in terms of the performance metrics of simulated baseline models. Furthermore, the performance variations are also compared with respect to varying absorber layer defect density. Moreover, the reproducibility aspect of cells is compared with respect to varying carrier mobility of the absorber layer. We observe an outstanding improvement in efficiency and reproducibility of FPSCs with MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> as ETL. The results highlight the vitality of ETL material properties toward efficiency and reproducibility enhancement of FPSCs. These findings serve as an important benchmark for improving the commercialization prospects of FPSCs.