Optimization of the Perovskite Solar Cell Design with Layer Thickness Engineering for Improving the Photovoltaic Response Using SCAPS-1D

In this paper, thickness optimization of perovskite layer, electron transport layer (ETL), and hole transport layer (HTL) for a solid-state planar perovskite solar cell (PSC) with the structure of glass/FTO/TiO2/MAPbI3/Spiro-OMeTAD/Au has been investigated using SCAPS-1D. Two theoretical interface layers, TiO2/MAPbI3 and MAPbI3/Spiro-OMeTAD, were introduced into the construction model to consider the impacts of interface defect density on device performance. The validity of the modeling methodology was verified by comparing the simulation results with the real experimental data. The effect of thickness variation of each layer on the electrical parameters, including energy band diagram, J–V curve, Jsc, Voc, fill factor (FF), and power conversion efficiency (PCE), was thoroughly studied. The PSC performance is also investigated by optimizing the thickness of layers, acceptor density (NA) of perovskite as well as interfacial defect density (Nt). The simulation results revealed that increasing the thicknesses of the absorber (MAPbI3) layer, the ETL (TiO2), and the HTL (Spiro-OMeTAD) by 100%, 54%, and 50%, respectively, is found essential for efficient PSC performance. It was also demonstrated that the optimum NA and Nt should be of the order of ~ 10181/cm3 and ~ 1091/cm3, respectively. Under satisfactory simulation conditions, the quantum efficiency (QE) for wavelengths in the range of 500–850 nm improved, Jsc increased to 23.43 mA/cm2, and as a result, the PSC showed a remarkable increase in PCE by 1.5%.