Optimization of Perovskite-KSnI₃ Solar Cell by Using Different Hole and Electron Transport Layers: A Numerical SCAPS-1D Simulation

Abstract

Perovskite solar cell (PSC) technology is extensively used in commercial sectors, but concerns about the use of lead and degradable components in cells are increasing. A PSC, which is based on lead-free KSnI3, is illustrated through the SCAPS-1D simulation. In this work, different hole transport layers (HTLs; spiro-OMeTAD, Cu2O, NiO, and CuI) and electron transport layers (ETLs; TiO2, CdS, WS2, and ZnO) were simulated with the proposed device configuration and highest power conversion efficiency (PCE). By optimizing thickness variation, doping density, defect density, and back contact, we obtained the highest PCE = 20.99%, FF = 85.24%, Jsc = 17.063924 mA/cm2, and Voc = 1.4434 V. These values were higher than those in a previous study on a KSnI3-based PSC with phthalocyanine-based CTLs having PCE = 11.91% and on a TiO2, spiro-OMeTAD-based PSC with PCE = 9.776%. To achieve the final optimization result of PCE = 20.99%, we used CuI as the HTL, ZnO as the ETL, and KSnI3 as the absorber layer. The FTO/ZnO/KSnI3/CuI/Au device structure provides an efficient and reliable solution for realizing remarkable efficiency in PSCs.