Enhanced visible light absorption for lead-free double perovskite Cs2AgSbBr6

Abstract

In a search for Pb-free photovoltaic materials, a double perovskite Cs₂AgSbBr₆ with an indirect optical bandgap of 1.64 eV has been synthesized. Single crystal X-ray diffraction determined the space group as Fmm with a = 11.1583(7) Å. The black, as-synthesised compound turned brown after heat treatment at 480 K while the symmetry and crystallinity were preserved. X-ray photoelectron spectroscopy indicated the existence of Sb⁵⁺ in the black crystals, suggesting that the dark colour arises from the Sb³⁺–Sb⁵⁺ charge transfer. Furthermore, UV visible spectroscopy and density functional theory calculations have been applied to probe the optical properties and electronic structure.