Photovoltaic characteristics of ultrathin Cs2CuBiCl6 halide double perovskite based solar cell: theoretical studies

Abstract

The strenuous task of managing overall stability and environmental hazards associated with regular halide single perovskites draws attention toward halide double perovskite (DP) as an alternative materials. These materials are relatively stable and potentially less-toxic and have been explored for various applications- optoelectronics, electrical, spintronics, etc. This article brings forth the photovoltaic promise of noble metal and pnictogen element based Cs2CuBiCl6 halide DP as an ultrathin absorber in solar cell configured with p-i-n geometry. The numerical simulation of Cs2CuBiCl6 based all-inorganic inverted solar cell configuration exhibits comparable power conversion efficiency of around 17.03% for a 100 nm ultrathin absorber in a single junction cell. We considered microscopic factors like radiative recombination coefficient, neutral and charged defects with their densities, intrinsic heat in the devices, and macroscopic quantity like thickness of constituent layers, including interfacial effect in the device. The simulated device shows better interfacial defect tolerance on either side of the absorber layer, good device tolerance to absorber defect density < 1016 cm−3 and tollerable 0.84% intrinsic heat (Peltier and Joule heat) fraction for the device. This article may provide a way forward for realizing Cs2CuBiCl6 halide DP absorber based solar cell with a predicted open-circuit voltage of 0.91 Volt and short-circuit density of 21.66 mA/cm2.