Synergistic Surface Modification of Bromocarboxylic Acid-Oleylamine Dual Ligands for Highly Stable and Luminescent CsPbBr3 Perovskite Nanocrystals

The poor stability of CsPbBr3 perovskite nanocrystals (PNCs) caused by weak and dynamic ligand coordination severely limits their commercial applications. Herein, a dual-ligand synergistic modification strategy based on bromocarboxylic acids (BCAs) and oleylamine (OAm) was developed to mediate the surface structures and luminescent dynamics of CsPbBr3 PNCs. The results reveal that carboxylate groups of BCA ligands modulate crystal growth, while its terminal Br atom forms a strong coordination with exposed Pb2+ on the PNCs surface, which can effectively passivate lead- and bromine-related defects. The synergistic protection of OAm ligands enhances the stability of PNCs via amino-halide electrostatic interactions and steric hindrance effects. Notably, based on the relatively dense surface coating of 4-bromobutyric acid (BBA) and OAm dual-ligands, the prepared CsPbBr3 PNCs exhibit a high photoluminescence quantum yield (PLQY) of 85.2 ± 2.4% and remarkable storage stability, retaining 90.2 ± 1.7% of their initial PL intensity after being stored for 63 days under ambient conditions. Furthermore, a prototype white light-emitting diode (WLED) fabricated with these PNCs displays a wide color gamut covering 122.1% of the NTSC standard and a luminous efficacy of 64.6 lm/W. This work provides a facile and feasible ligand engineering strategy to obtain highly stable and emissive PNCs.