Synthesis of Cs2AgSbCl6 and improved optoelectronic properties of Cs2AgSbCl6/TiO2 heterostructure driven by the interface effect for lead-free double perovskites solar cells

Double perovskites Cs2AgSbCl6 have been synthesized via the solution state for applications as a promising photovoltaic absorber. Considering TiO2 as an electron transport layer (ETL), Cs2AgSbCl6/TiO2 heterojunction nanoparticles have also been prepared by the hydrothermal process to study the interface effect. Experimental measurements show that Cs2AgSbCl6 has a cubic structure with the lattice constant of 10.699 A. The absorption peaks in the optical spectrum of the Ag and Sb-based double perovskites agree well with our density functional theory calculations. The Cs2AgSbCl6/TiO2 heterostructure exhibits enhanced optical absorption in the visible-light region compared to that of Cs2AgSbCl6, which is caused by the formation of the interface states and the decreased bandgap, thus facilitating the photo-induced optical transition in the visible-light region. From the charge transfer analysis of two interfaces (Ag2Sb2Cl8/TiO2 and Cs4Cl4/TiO2 interfaces), we find that the efficient separation of photo-induced...