NUMERICAL STUDY OF THE EFFECT OF DELAFOSSITE CuAlO2 AND PEDOT:PSS AS HOLE TRANSPORT MATERIALS IN THE 3D/2D PEROVSKITE SOLAR CELL

Abstract

Metal halide perovskite solar cells have shown good performance in photovoltaic. Methylammonium lead iodide (CH3NH3PbI3 or 3D-MAPI) is one of the most popular 3D metal halide perovskite materials. In this study, we numerically modelled metal halide perovskite solar cells having a p-i-n structure with intrinsic layers of 3D-MAPI and 2D monolayers of CH3NH3PbI3 (2D-MAPI). However, the hole transporting material of the p-i-n perovskite solar cell can control the performance of the solar cell due to the recombination in the hole transporting layer (HTL). We simulated and observed how the delafossite CuAlO2 and PEDOT:PSS (poly(3,4-ethylenedioxythiophene) polystyrene sulfonate) HTLs affect the solar cell model with the structure of Glass/p-PEDOT:PSS or p-CuAlO2 (HTL)/i-3D-MAPI/i-2DMAPI/n-PCBM (ETL)/Ag. The fullerene derivative (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) was used as an electron transporting material (ETM). Firstly, the optimised solar cell model was simulated with a p-type PEDOT:PSS layer. Secondly, PEDOT:PSS was replaced with CuAlO2 to observe its performance. The one-dimensional Solar Cell Capacitance Simulator (SCAPS-1D) has been used to model these solar cells under the AM1.5G solar spectrum. We have first obtained the results, with the power conversion efficiency (PCE) of 20.17%, open-circuit voltage (VOC) of 1.10 V, fill factor (FF) of 76.08%, and short-circuit current density (JSC) of 24.17 mA cm-2 . After replacing CuAlO2, the solar cell performance improved, with the PCE of 23.17%, VOC of 1.14 V, FF of 84.07%, and JSC of 24.17 mA cm-2 since CuAlO2 has shown high shunt-resistant value than PEDOT:PSS. Consequently, the 3D/2D metal halide perovskite solar cell model with CuAlO2 has numerically shown better power conversion efficiency than the solar cell model with PEDOT:PSS since the low carrier recombination at the CuAlO2 layer (HTL).