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Three aggregation-induced emission (AIE) and thermally activated delayed fluorescence (TADF) blue light-emitting materials were successfully synthesized using bicarbazole and phenylsulfonyl/benzophenone moieties as electron donors and acceptors, respectively, via Buchwald-Hartwig reaction. Density functional theory calculations showed that the three emitters have a moderate dihedral angle between the two carbazole planes and between the donor and acceptor, resulting in a good conjugated structure and a trade-off between the small Δ E ST and high photoluminescence quantum yield of the BCzDPM molecule. The cyclic voltammetry, thermogravimetric analysis and differential scanning calorimetry tests demonstrated that the three materials had high electrochemical and thermal stability. The three emitters exhibited obvious intramolecular charge transfer characteristics in solution and film. According to the fluorescence and low-temperature phosphorescence spectra, the lowest singlet and triplet excited state energy levels of BCzDPM were 2.96 eV and 2.78 eV, respectively, with a Δ E ST of 0.18 eV. Using these emitters as non-doped emissive layers, efficient blue electroluminescent devices were fabricated. The maximum current efficiency and external quantum efficiency reached 15.4 cd/A and 7.05% for the BCzDPM device, respectively, and the efficiency roll-off of BCzDPM was smaller than that of PSOBCz and PBCzPM, under high current density. [Display omitted] • The twisted molecule has a moderate dihedral angle, resulting in a trade-off between small Δ E ST and high Φ PL. • BCzDPM simultaneous combination of AIE and TADF properties. • BCzDPM exhibit small Δ E ST of 0.18 eV and high Φ PL of 67%. • BCzDPM film has high k ISC , k RISC , and k F values implying rapid decay of T 1.→S 1 and S 1 →S 0 for emission. [ABSTRACT FROM AUTHOR]

Due to the limited molecular design strategy, the development of ultrahigh color purity deep blue aggregation-induced emission (AIE) emitters with excellent photophysical and electroluminescence performances is still facing challenges at present. In this study, an effective design strategy for deep blue emitters is proposed, which can improve the performances of non-doped organic light-emitting diodes (OLEDs) by adjusting the link mode of the phenyl bridge and utilizing the steric hindrance effect of the rigid plane. Two new emitters, 3BCzPT and 4BCzPT, were obtained with phenanthroline acceptor and carbazole donor for deep blue emitting OLEDs. Particularly, 3BCzPT has been proven to have AIE characteristics through photophysical properties. Non-doped OLEDs with 3BCzPT demonstrate prominent electroluminescence (EL) performances reaching a maximum current efficiency (CEmax) of 6.3 cd A−1 and maximum external quantum efficiency (EQEmax) of 3.81%, well as ultrahigh color purity with Commission Internationale de L'Eclairage (CIE) coordinates of (0.151, 0.053). While the parameters of non-doped OLED based 4BCzPT are 4.2 cd A−1, 1.96% and (0.147, 0.082). Both emitters exhibit narrow EL spectra with the full-width at half maximum (FWHM) of 56 and 52 nm. • A strategy to construct deep blue AIE emitters with D-π-A-π-D configuration was proposed. • Highly twisted configurations are beneficial to the formation of weak intra/intermolecular interaction. • Non-doped OLEDs provided ultrapure deep blue emission with CIE x ≤0.15 and CIE y ≤0.08. • This feasible strategy can enrich the design strategy of deep blue emitters and further extend their application in OLEDs. [ABSTRACT FROM AUTHOR]