Transition Metal Ions in Methylammonium Chloride Perovskites

[Image: see text] Organic–inorganic perovskite materials have become star materials for future wide band gap optoelectronics due to their excellent optical and electrical properties. However, the lead ions inside perovskites have become a crucial environmental issue in the commercialization of wide band gap perovskite devices . This research tries to find the structure and properties of lead-free perovskite materials by screening Sn(2+) and transition-metal ions to replace Pb(2+) within the methylammonium (MA)-based chloride perovskite and find out a new two-dimensional structure of MA-based transition-metal ion chlorides. Overall, MAZnCl(3) may be a potential ultraviolet-C luminescent material with a stable two-dimensional structure with a wide band gap of 5.64 eV, which is suitable for ultraviolet-C luminescence applications.