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To explain the origin of extremely high efficiencies of deep-blue fluorescent organic light-emitting diodes (OLEDs) with anisotropic-shaped anthracene derivatives, the enhancements of singlet-exciton generation efficiency and outcoupling efficiency were investigated by transient electroluminescence measurement and variable angle spectroscopic ellipsometry, respectively. Both the delayed fluorescence from singlet excitons generated via triplet-triplet annihilation and the outcoupling enhancement by dipole orientation of emitters were found to contribute to the high external quantum efficiencies of the devices. This dual efficiency enhancement is important for understanding and further improving high-performance fluorescent OLEDs.

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Herein, we describe the molecular electronic structure, optical, and charge-transport properties of anthracene derivatives computationally using density functional theory to understand the factors responsible for the improved efficiency and stability of organic light-emitting diodes (OLEDs) with triphenylamine (TPA)-substituted anthracene derivatives. The high performance of OLEDs with TPA-substituted anthracene is revealed to derive from three original features in comparison with aryl-substituted anthracene derivatives: 1) the HOMO and LUMO are localized separately on TPA and anthracene moieties, respectively, which leads to better stability of the OLEDs due to the more stable cation of TPA under a hole majority-carrier environment; 2) the more balanceable hole and electron transport together with the easier hole injection leads to a larger rate of hole-electron recombination, which corresponds to the higher electroluminescence efficiency; and 3) the increasing reorganization energy for both hole and electron transport and the higher HOMO energy level provide a stable potential well for hole trapping, and then trapped holes induce a built-in electric field to prompt the balance of charge-carrier injection.

Deep blue emitting materials with a new core structure containing indenopyrazine have been synthesized; a non-doped device using one of these materials as a blue emitter was found to exhibit high external quantumn efficiency of 4.6% and excellent color purity of (0.154, 0.078) as well as narrow emission band of 47 nm FWHM.