Simulation of carriers spatial distribution and transportation in co-mixing composition perovskite for solar cell

Abstract

A planar device structure FTO/TiO2/SnO2/Cs0.1[HC(NH 2)2]0.74(CH3NH3)0.13PbI2.48Br0.39(Cs0.1FA0.74MA0.13PbI2.48Br0.39)/CuSCN/Au with cation and anion co-mixed Cs0.1FA0.74MA0.13PbI2.48 Br0.39 as light harvester was modeled and investigated by using modeling program wxAMPS. The energy band structure, carrier concentration, carrier generation rate, recombination rate, and other data were obtained through simulation to analyze the specific influence on the performance of perovskite solar cells (PSCs). In order to better optimize device performance, we investigated the effects of perovskite and the interface between each functional layer defect density, film thickness, and test temperature environment on the performance of PSCs. The simulation results show that the device performance has higher dependence on the effect of perovskite and interface defect density. By further optimizing the parameters of defect density (1013 cm-3), film thickness (400 nm), and test temperature (300 K), the power conversion efficiency (PCE) of the finally obtained PSCs was enhanced from the initial 11.65% to 21.95%. This investigation will enable us to better understand the internal working mechanism of PSCs and provide theoretical guidance for the fabrication of high-performance PSCs in experiments.