A NUMERICAL SIMULATION STUDY OF THE PERFORMANCES OF 3D/2D PEROVSKITE SOLAR CELL AFTER INTRODUCING THE DEFECTS IN THE 3D PEROVSKITE LAYER

Abstract

This is a numerical simulation study of a thin film hybrid organic-inorganic perovskite solar cell with a p-i-n structure. The p-type semiconductor layer is an organic hole transporting material (HTM) called Poly (3,4- ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS). In this new device structure, we have intentionally included a double intrinsic layer (i) of 3D Methylammonium Lead Iodide (CH3NH3PbI3) (MAPI) and the 2D monolayer of CH3NH3PbI3 to minimize the degradation of the device, and also embedded deep and shallow defects in the 3D-MAPI layer. The n-type material, fullerene derivative (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) is used as an organic electron transporting material (ETM). The solar cell performance has changed after including defects in the 3D-MAPI since the defects can alter the dark saturation current of the device. The simulation results show that the shallow defects and deep defects of 3D-MAPI can alter the open-circuit voltage of the perovskite solar cell model. The open-circuit voltage of the solar cell model depends on the dark saturation current, which indicates how much recombination is occurring in a semiconductor. The deep defects of 3D-MAPI should be minimized to increase the cell performance since the high dark saturation current decreases the open-circuit voltage of the solar cell. We have observed that Shockley-Read-Hall recombination is the most predominant recombination mechanism for the deep defects in the 3D-MAPI materials.