Simultaneous Enhancement of Photoluminescence and Stability of CsPbCl3 Perovskite Enabled by Titanium Ion Dopant

The application of CsPbCl3 perovskite is limited by the low photoluminescence quantum yield (PLQY), weak luminescence, and unpromising stability. Doping impurity ions has been considered as an effective strategy to tune the optoelectronic performances of perovskite. In this work, heterovalent Ti3+ ions are successfully doped into CsPbCl3 nanocrystals. It is found that Ti3+ ion doping could effectively improve the photoluminescence (PL) performance of CsPbCl3 nanocrystals. Density functional theory (DFT) calculations reveal that Ti3+ ions could introduce more band-edge states around the conduction band minimum of CsPbCl3, which is conducive to release electrons into conduction band. Furthermore, Ti3+ ion doping could inhibit the Cl vacancy concentration in CsPbCl3 and prevent the in-gap state caused by Cl vacancy. Notably, the stability of CsPbCl3 perovskite is greatly improved through Ti3+ ion doping. This work provides a new perspective for improving the optoelectronic properties of all-inorganic perovskites through heterovalent metal ion doping.