Transition Metal Ions in Methylammonium Chloride Perovskites

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 Sn2+ and transition-metal ions to replace Pb2+ within the methylammonium (MA)-based chloride perovskite and find out a new two-dimensional structure of MA-based transition-metal ion chlorides. Overall, MAZnCl3 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.