Stability and optoelectronic property of low-dimensional organic tin bromide perovskites

The toxicity and degradation of hybrid lead-halide perovskites hinder their extensive applications. It is thus of great importance to explore non-toxic alternative materials with excellent stability and optoelectronic property. We investigate the atomic structures and optoelectronic properties of non-toxic organic tin bromide perovskites (OTBP) with one/zero-dimensional (1D/0D) structures by first-principles calculations. The calculated atomic structures show that the 1D/0D OTBPs are stable and the structure of inorganic octahedra in 0D is higher order than that in 1D. Moreover, the origination of exceptional purity emitting light in experiments is explained based on the calculated electronic structure.