Numerical Study of Cu2O, SrCu2O2, and CuAlO2 as Hole‐Transport Materials for Application in Perovskite Solar Cells

Herein, the application of Cu 2 O, SrCu 2 O 2 , and CuAlO 2 as the hole‐transport materials (HTMs) in perovskite solar cells (PVSCs) using solar cell capacitance simulator (SCAPS‐1D) software, is numerically investigated. The effects of various parameters such as the perovskite layer thickness, the defect density of perovskite and interfaces, acceptor density of HTM and valance band offset of HTM/perovskite interface on device performance are studied. According to the simulation outcomes, the SrCu 2 O 2 and CuAlO 2 known as p‐type transparent conductive oxide are introduced as promising HTMs for fabrication of highly stable and efficient PVSCs. The Cu 2 O‐based devices exhibit the low power‐conversion efficiency (PCE) of 17.38% whereas, compared with 2,2′,7,7′‐tetrakis‐( N , N ‐di‐4‐methoxyphenylamino)‐9,9′‐spirobifluorene (Spiro‐OMeTAD)‐based devices (PCE = 19.23%), the SrCu 2 O 2 and CuAlO 2 based‐devices show an enhanced PCE of 19.67% and 19.82%, respectively, under the hole‐transport layer (HTL) side illumination. This improvement can be attributed to lower light absorption in the HTL for devices based on SrCu 2 O 2 and CuAlO 2 than Cu 2 O due to wider bandgap which is formed.