Design and simulation of a high-performance CH ₃ NH ₃ Pb(I _1–x Cl _x ) ₃ -based perovskite solar cell using a CeO _x electron transport layer and NiO hole transport layer

Abstract

Abstract Herein, a novel planar heterostructure (ITO/CeO x /CH 3 NH 3 Pb(I 1–x Cl x ) 3 /NiO/Au) of a CH 3 NH 3 Pb(I 1–x Cl x ) 3 -based perovskite solar cell has been designed and numerically investigated. CH 3 NH 3 Pb(I 1–x Cl x ) 3 has been introduced as an absorber layer due to its excellent thermal stability and high carrier diffusion length. Inorganic CeO x and NiO have been introduced as an electron transport layer (ETL) and hole transport layer (HTL), respectively, as their role in the enhancement of efficiency and stability of other perovskite-based solar cells has already been proven. The influences of different physical parameters of the CH 3 NH 3 Pb(I 1–x Cl x ) 3 absorber layer, NiO HTL, and CeO x ETL on the device performance have been explored. The investigated results indicate that the thickness and carrier concentration of the CH 3 NH 3 Pb(I 1–x Cl x ) 3 has a massive impact on solar cell performance. A considerable impact of the carrier concentration of the CeO x and NiO on device performance has also been observed. The role of CH 3 NH 3 Pb(I 1–x Cl x ) 3 -layer deep-level defects, CeO x /CH 3 NH 3 Pb(I 1–x Cl x ) 3 interface defects, series resistance, and back contact work functionon solar cell performance were also studied. The optimized solar cell exhibited a power conversion efficiency of 26.05% with open-circuit voltage ( V OC ), short-circuit current density ( J SC ), and fill factor of 1.082 V, 29.41 mA cm −2 , and 81.85%, respectively. This research indicates that the designed heterostructure of solar cells may appear as a viable alternative to manufacturing CH 3 NH 3 Pb(I 1–x Cl x ) 3 high-performance perovskites.