Abstract
Abstract Recent progress in lead (Pb) halide perovskites has inspired much research into economical solar cells, focusing on critical issues of stability and toxicity. This study investigates the performance of perovskite solar cells (PSCs) by simulating the impact of a methylammonium lead chloride (CH3NH3PbCl3) layer as the absorber material using the SCAPS-1D simulator. The first comprehensive study of this material examines the role and configuration of the Electron Transport Layer (ETL) and Hole Transport Layer (HTL), as well as the absorber layer, on solar cell performance. The ETLs used in the device optimization are ZnO, SnO2, IGZO, and CdS; the HTL is CuO; and the front and back contacts are Au and Ni, respectively. The study highlights CuO as the optimal HTL for CH3NH3PbCl3, delivering power conversion efficiencies (PCEs) of 16.10%, 16.06%, 16.05%, and 14.41% with ZnO, SnO2, IGZO, and CdS as ETLs, respectively. The performance of these device architectures is significantly influenced by factors such as defect density, absorber layer thickness, ETL thickness, and the combination of different ETLs and CuO HTLs. Furthermore, this study elucidates the impact of absorber and HTL thickness on key photovoltaic parameters, such as VOC, JSC, FF, and PCE. Also, we have discussed the VBO, and CBO for different ETLs. Additionally, we examine the effects of series and shunt resistance, operating temperature, quantum efficiency (QE), capacitance-voltage characteristics, generation and recombination rates, and current density-voltage (J-V), analysis of absorption data, and impedance analysis behavior on achieving the highest efficiency of the device. This comprehensive study provides critical insights into designing cost-effective, high-performance PSCs, and advancing the development of next-generation photovoltaic technologies.
Published Version
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