Lead-free antimony-based halides bis(thiomorpholine) pentachloroantimonate(III) monohydrate

Abstract

We have successfully synthesized a new antimony-based halide hydrate, bis(thiomorpholine) pentachloroantimonate(III) monohydrate (C4NSH10)2[SbCl5]·H2O (1, C4NSH10+ is thiomorpholine cation), which crystals in a centrosymmetric space group of Pbca. 1 features the R2MX5-type perovskite architecture and undergoes a first-order structural phase transition (PT) at 406.3 K, accompanying with prominent dielectric responses. The photoluminescence spectra reveal that 1 shows a broadband light emission and a long lifetime (2.77 μs). In addition, the DFT calculation exhibits the organic thiomorpholine cation has a contribution to electronic band structures of 1, which is distinct with other halide bismuth (Bi) and antimony (Sb)-based hybrid perovskites. This finding opens up a potential pathway to construct new lead-free hybrid materials for application of the optoelectronics.