摘要：In this paper, two AIE-active luminogens (Oxa-pTPE and Oxa-mTPE) constructed from tetraphenylethene and oxadiazole units were successfully synthesized and their thermal, optical and electronic properties were investigated. By linking TPE to the oxadiazole core through meta-or para-position, the intramolecular conjugation is effectively controlled. Thanks to the intelligent molecular design and specific AIE feature, when fabricated as emissive layers in non-doped OLEDs, they exhibit blue or deep-blue emission with CIE coordinates of (0.17, 0.23) and (0.15, 0.12), and good efficiencies with ηC, max and ηP, max up to 1.52 cd A-1 and 0.84 Im W-1 , shedding some light on the construction of deep-blue AIE fluorophores.

摘要：How to control the dipole orientation of organic emitters is a challenge in the field of organic light-emitting diodes(OLEDs).Herein,a linear thermally activated delayed fluorescence(TADF)molecule,PhNAI-PMSBA,bearing a 1,8-naphthalimide-acridine framework was designed by a doublesite long-axis extension strategy to actively control the dipole *** horizontal ratio of emitting dipole orientation of PhNAI-PMSBA reaches 95%,substantially higher than that of isotropic emitters(67%).This unique feature is associated with the intrinsically horizontal molecular orientation of PhNAI-PMSBA and the good agreement between its transition dipole moment direction and molecular long *** PhNAI-PMSBA-based OLED achieves an ultrahigh optical outcoupling efficiency of 43.2%and thus affords one of the highest red electroluminescence with an external quantum efficiency of 22.3%and the Commission International de l’Eclairage 1931 coordinates at around(0.60,0.40).

摘要：硼氮多重共振(MR)发光材料在宽色域有机发光二极管(OLEDs)中具有重要应用前景,因此受到广泛关注.其中,间位双硼骨架凭借其高效率和极窄的发光光谱,在蓝光发光材料的构筑中已展现出独特优势,但如何基于间位双硼骨架构筑绿光窄光谱发光分子却鲜有报道.本论文基于萘环稠合策略设计并合成了绿光发光分子BN-NAP和BNANAP,其最大发射峰分别为511和518 nm,并保持了窄光谱发光性质,其发光半峰宽(FWHM)仅为26和20 nm.利用BN-ANAP作为发光材料制备得到纯绿光OLED器件,其CIE坐标为[026,067],最大外量子效率(EQEmax)为21.0%,同时具有较小的效率滚降.

摘要：In order to obtain high efficiency of organic light-emitting diodes and organic solar cells,a series of DPP-based four-coordinate organoboron compounds have been designed for photoelectric functional *** effects of electron-donating and-withdrawing substituent on the electronic and optical properties have been investigated by using density functional theory(DFT)and time-dependent DFT(TD-DFT)approaches *** turned out that electron-donating and-withdrawing groups can tune effectively the frontier molecular orbital(FMO)energy level,energy gap,and absorption and fluorescence *** introduction of electron-withdrawing groups for the parent molecule HBDPP(2,5-bis(diphenylboryl)-3,6-bis(pyridin-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione)favors the decrease for the FMO energy(E_(LUMO)and E_(HOMO)),HOMO-LUMO gaps(E_(g)),and the downhill energetic driving force(ΔEL-L),while the electron-donating groups can increase E_(LUMO),E_(HOMO),E_(g),andΔEL-L compared with that of HBDPP,*** absorption and fluorescence spectra of the electron-withdrawing substituted derivatives exhibit bathochromic shifts,while the absorption and fluorescence spectra of the electrondonating substituted derivatives show hypsochromic shifts compared with the parent molecule HBDPP,***,the stronger the electron-withdrawing/donating ability of group is,the more significant the effect in the optoelectronic properties.