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).
