Effect of one-dimensional crystal ChPbI3 absorber layer in perovskite solar cells with MXene-assisted ETLs

Abstract

Choline halide can effectively passivate defects by binding with charged point defects of perovskite. Experimental results at room temperature demonstrated that the reaction of ChI with CsPbI3 resulted in the formation of a new one-dimensional (1D) crystal phase of ChPbI3, characterized by synchrotron high-resolution single-crystal X-ray diffraction. Due to the new 1D crystalline phase, the designed structures witnessed considerable photovoltaic improvement. The SCAPS-1D simulation software was used to model a perovskite solar cell featuring a 1D ChPbI3 absorber. We studied the performance of perovskite solar cells based on a 1D ChPbI3 absorber layer with different electron/hole transport layers (ETL/HTL). Parameters such as power conversion efficiency (PCE), open-circuit voltage (VOC), short-circuit current density (JSC), fill factor (FF), external quantum efficiency (EQE), ideality factor (nid), photocurrent (JPh), Mott–Schottky (M–S) plot, built-in potential (Vbi) and recombination resistance (Rrec) were calculated. The analysis of interface recombination currents indicates that the solar cell with CuSCN as the HTL and TiO2-MXene as the ETL exhibits the highest performance. By optimizing this type of cell, it is possible to achieve an efficiency of 25.50%.