Highly efficient deep blue electroluminescent material with high and towards balanced carrier transmission performance based on hybrid local and charge-transfer (HLCT) excited state

Deep blue electroluminescent materials play a decisive role in organic light-emitting diodes (OLEDs). Herein, three novel deep blue molecules based on hybridized local and charge-transfer (HLCT) excited state were reported, namely CZFPY, CZFPI and TPAFPI. Single-crystal analysis of TPAFPI shows abundant intermolecular interactions, which restricts molecular rotation and suppresses structural vibrations, promotes TPAFPI achieved a high photoluminescence quantum yield (PLQY) up to 72 % in solid state. More importantly, these abundant intermolecular interactions significantly increase its carrier mobilities, with hole and electron mobilities as high as 1.2 × 10−5 cm2 V−1 s−1 and 5.4 × 10−6 cm2 V−1 s−1, respectively. Consequently, the non-doped OLED based on TPAFPI achieved excellent device performance, the maximum current efficiency (CEmax) is 12.4 cd/A, the maximum power efficiency (PEmax) is 14.0 lm W−1, the maximum external quantum efficiency (EQEmax) is 7.2 % with high device stability, the efficiency roll-off is only 4.7 % at 1000 cd m−2. What is more, the doped device of TPAFPI exhibits a higher EQEmax of 10.1 % with a higher color purity, the Commission International de L’Eclairage (CIE) coordinate is (0.15, 0.06), matching the National Television Standards Committee (NTSC) standard. The comprehensive performance of TPAFPI-based doped device is at the highest level in the field of deep blue OLEDs (0.06 ≤ CIEy ≤ 0.09).