Optimization of the architecture of lead-free CsSnCl3-perovskite solar cells for enhancement of efficiency: A combination of SCAPS-1D and wxAMPS study

Lead-free perovskite of cesium tin chloride (CsSnCl3) is being considered as a potential environmentally acceptable alternative for highly efficient perovskite solar cells (PSCs) for the outstanding optoelectronic properties and reduced biotoxicity and non-hazardous characteristics. The poisonous nature and poor environ-mental stability of lead (Pb)-based perovskite are major hurdles to their reliable applications, even though their power conversion efficiency (PCE) has exceeded 25%. In this research, the potential of thermally stable, non-toxic CsSnCl3 perovskite for designing high-efficiency solar cells was explored using the SCAPS-1D software. The influence of CsSnCl3 layer thickness, acceptor density, and defect density was studied to obtain optimum values as a reference cell, and the effect of these parameters on six electron transport layers (ETLs) as well as Cu2BaSnS4 (CBTS) hole transport layer (HTL) was also evaluated. The impact of series resistance, shunt resis-tance, and the working temperature on the electrical parameters of the cell and corresponding quantum effi-ciency were also assessed. The ITO/ZnO/CsSnCl3/CBTS/Au heterostructure was found to be the most efficient device among six different configurations, with a champion PCE of 23.96%, JSC of 23.5 mA/cm2, VOC of 1.04 V, and FF of 86%. These results were validated by results obtained from the wxAMPS and a comparative study with recent reports was also performed. These validated simulation results provide a greater understanding of the eco-friendly CsSnCl3-based perovskite and its potential for applications in modern prominent photovoltaic and op-toelectronic devices.