Inorganic Lead‐Free Cs2AuBiCl6 Perovskite Absorber and Cu2O Hole Transport Material Based Single‐Junction Solar Cells with 22.18% Power Conversion Efficiency

• DOI: 10.1002/adts.202000224
• Publication Date: 2021-02-02T06:56:17Z
• Authors: Abhijeet J. Kale; Rajneesh Chaurasiya; Ambesh Dixit
• Keywords: Perovskite solar cell

Abstract Cs 2 AuBiCl 6 is considered to be a potential lead‐free double perovskite alternative for solar cells. Its electronic and optical properties are investigated using density functional theory. The of material ensure bandgap 1.40 eV (without considering SOC) 1.12 (with mBJ exchange‐correlation functional, close the optimal cell application as per Shockley–Queisser limit. Optical suggest high absorption coefficient ≈10 5 cm −1 with low reflectance, making it absorber material. Furthermore, photovoltaic performance based single‐junction transparent conducting oxide (TCO)/IDL1/Cs /IDL2/Cu O SCAPS‐1D device simulation program. impact electron affinity, thickness, carrier concentration, defect density, interface examined layer (IDL) on performance. maximum photoconversion efficiency (PCE) ≈22.18% noticed optimized material's parameters. These studies TCO/IDL1/Cs will provide guidelines designing developing an efficient perovskite‐based conventional halide materials cell.