Chlorine Vacancy Passivation in Mixed Halide Perovskite Quantum Dots by Organic Pseudohalides Enables Efficient Rec. 2020 Blue Light-Emitting Diodes

Blue-emitting perovskites can be easily attained by precisely tuning the halide ratio of mixed halide (Br/Cl) perovskites (MHPs). However, the adjustable halide ratio hinders the passivation of Cl vacancies, the main source of trap states leading to inferior performance of blue MHP light-emitting diodes (LEDs). Here, we report a strategy for passivating Cl vacancies in MHP quantum dots (QDs) using nonpolar solvent-soluble organic pseudohalide [n-dodecylammonium thiocyanate (DAT)], enabling blue MHP LEDs with greatly enhanced efficiency. Density functional theory calculations reveal that the thiocyanate (SCN^–) groups fill in the Cl vacancies and remove electron traps within the bandgap. DAT-treated CsPb­(Br_xCl_1–x)₃ QDs exhibit near unity (∼100%) photoluminescence quantum yields, and their blue (∼470 nm) LEDs are spectrally stable with an external quantum efficiency of 6.3%, a record for perovskite LEDs emitting in the range of 460–480 nm relevant to Rec. 2020 display standards, and a half-lifetime of ∼99 s.