Analysis of Lead Free CsSnBr3 based Perovskite Solar cells utilizing Numerical Modeling

Abstract In this study, we propose several CsSnBr3-based PSC configurations using the Solar Cell Capacitance Simulator (SCAPS-1D), incorporating various efficient Electron transport layers (ETLs) such as TiO2, PCBM, WS2, SnO2, ZnO, IGZO, C60, and Hole transport layers (HTLs) like CBTS, CFTS, CuO, CuI, Spiro-OMeTAD, PEDOT:PSS, P3HT, CuSbS2, CuSCN, and Cu2O. Numerical simulation results reveal that the device structure ITO/WS2/CsSnBr3/Cu2O/Au exhibits outstanding power conversion efficiency (PCE), retaining the closest photovoltaic parameter values among 70 different configurations. In this configuration, WS2 served as the ETL, and Cu2O acted as the HTL. This device achieved an outstanding peak PCE of 20.02 %. It also boasted a high open circuit voltage (Voc) of 1.23 V, a short circuit current density (Jsc) of 19.32 mA/cm2, and an impressive fill factor (FF) of 84.18 %. In comparison, devices utilizing materials like TiO2, PCBM, SnO2, ZnO, IGZO, and C60 yielded PCE values of 19.72, 19.73, 19.72, 19.73, 19.72, and 15.60 %, respectively. Furthermore, for the seven best-performing configurations, we investigated the effects of CsSnBr3 absorber thickness, absorber-acceptor doping density (NA), conduction band offset (CBO), ETL doping density (ND), Capacitance-Voltage (C-V), Mott–Schottky (M-S) characteristics, generation and recombination rates, series resistance (Rse), shunt resistance (Rsh), temperature, current–voltage characteristics (J-V), and quantum efficiency (QE) on performance metrics. Our findings indicate that all seven ETLs, when combined with Cu2O HTL, can serve as excellent materials for fabricating high-efficiency CsSnBr3-based PSCs with the ITO/ETL/CsSnBr3/Cu2O/Au structure. To validate our results, we compared the simulation outcomes obtained with SCAPS-1D for the best seven CsSnBr3-PSC configurations with previously published research works. This comprehensive simulation study opens a promising avenue for the cost-effective production of high-performance, lead-free CsSnBr3-based PSCs, contributing to a greener and pollution-free environment.