Deep-ultraviolet (DUV) emissive carbon nanodots (CNDs) have been designed theoretically and demonstrated experimentally based on the results of first-principles calculations using the density functional theory method. The emission of the CNDs is located in the range from 280 to 300 nm, which coincides well with the results of theoretical calculation results. The photoluminescence (PL) quantum yield (QY) of the CNDs is up to 31.6%, and the strong emission of the CNDs originates from core-state (π-π*) carriers' radiative recombination and surface passivation. Benefiting from the core-state emission and surface group passivation, the emission of the CNDs is independent of the excitation wavelength and ambient solvent. DUV light-emitting diodes (LEDs) have been fabricated based on the DUV emissive CNDs, and the LEDs can be used as the excitation source to excite blue, green, and red CNDs, indicating their potential application in DUV light sources. This work may provide a clue for the designing and realizing of DUV emissive CNDs, thus promising the potential application of CNDs in DUV light-emitting sources.
Keywords: Carbon nanodot; deep-ultraviolet; density functional theory; emission.