An in-depth Investigation of the Photovoltaic Properties of CH 3 NH 3 PbCl 3 Perovskite for improved efficiency using SCAPS-1D Frameworks

Abstract Perovskite solar cells are increasingly acknowledged for their unique characteristics in the realm of photovoltaic technology. This study focuses on simulating the impact of methylammonium lead chloride-based perovskites, specifically the CH3NH3PbCl3 layer, as the absorber in perovskite solar cells (PSCs) using the SCAPS-1D simulator. Our research delves into how the performance of these solar cells is affected by the choice of Electron Transport Layer (ETL) and Hole Transport Layer (HTL) configurations, in addition to the absorber layer. This investigation marks the first comprehensive exploration of this material. The optimization of device design involves employing ZnO, SnO2, IGZO, and CdS as ETLs, CuO as the HTL, Ni, and Au as the back and front contact. 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. The power conversion efficiencies (PCEs) of devices optimized with ZnO, SnO2, IGZO, and CdS are found to be 16.10%, 16.06%, 16.05%, and 14.41%, respectively. 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, CBO for different ETLs. Additionally, we examine the effects of series resistance, shunt resistance, operating temperature, quantum efficiency (QE), capacitance-voltage characteristics, generation and recombination rates, and current density-voltage (J-V), and impedance analysis behavior on achieving the highest efficiency of the device. Through this extensive simulation study, researchers are equipped to develop cost-effective and highly efficient PSCs, thereby advancing solar technology.