Numerical Simulation and Experimental Study of Methyl Ammonium Bismuth Iodide Absorber Layer Based Lead Free Perovskite Solar Cells

Abstract In the past few years, there has been a significant increase in the development and production of perovskite or perovskite‐like materials that do not contain lead (Pb) for the purpose of constructing solar cells. The development and testing of lead‐free perovskite‐like structures for solar cells is crucial. In this study, we used the solar cell capacitance software (SCAPS) to simulate perovskite solar cells based on methyl ammonium bismuth iodide (MA 3 Bi 2 I 9 ). The electron‐transport layer, hole‐transport layer, and absorber layer thickness were optimized using SCAPS. The simulated perovskite solar cells (FTO/TiO 2 /MA 3 Bi 2 I 9 /spiro‐OMeTAD/Au) performed well with a power conversion efficiency of 14.07 % and a reasonable open circuit voltage of 1.34 V, using the optimized conditions determined by SCAPS. Additionally, we conducted experiments to fabricate perovskite solar cells under controlled humidity, which showed a power conversion efficiency of 1.31 %.