{"title":"氧硫策略性置换提高深蓝多共振发射管的TADF性能。","authors":"Junki Ochi, Yuki Yamasaki, Susumu Oda, Masakazu Kondo, Yasuhiro Kondo, Masahiro Hayakawa, Takuji Hatakeyama","doi":"10.1039/d5mh01353d","DOIUrl":null,"url":null,"abstract":"<p><p>An oxygen-sulfur replacement for improving thermally activated delayed fluorescence (TADF) materials based on a multiple-resonance (MR) effect is reported. A comprehensive computational analysis of four possible isomers revealed that the precise placement of the sulfur atom is crucial to suppress undesired spectral red-shifts. Among them, a promising deep-blue emitter, DOB2-DABNA-C-NP-S-1, exhibits emission at 458 nm with a narrow full width at half maximum (FWHM) of 20 nm. Moreover, its reverse intersystem crossing rate constant (<i>k</i><sub>RISC</sub>) of 2.9 × 10<sup>6</sup> s<sup>-1</sup> is three times larger than that of the oxygen-based analog (9.0 × 10<sup>5</sup> s<sup>-1</sup>). An OLED device incorporating DOB2-DABNA-C-NP-S-1 as an emitter achieves ultrapure deep-blue electroluminescence at 461 nm with Commission Internationale de l'Éclairage (CIE) coordinates of (0.133, 0.077), satisfying the blue emitter standards set by the National Television System Committee (NTSC). The device demonstrates outstanding external quantum efficiencies (EQEs) of 24.3% (at maximum), 23.9% (at 1000 cd m<sup>-2</sup>), and 18.7% (at 10 000 cd m<sup>-2</sup>), with the latter ranking the highest among the previously reported OLED devices employing deep-blue MR-TADF emitters.</p>","PeriodicalId":87,"journal":{"name":"Materials Horizons","volume":" ","pages":""},"PeriodicalIF":10.7000,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Improving the TADF properties of deep-blue multiple-resonance emitters by strategic oxygen-sulfur replacement.\",\"authors\":\"Junki Ochi, Yuki Yamasaki, Susumu Oda, Masakazu Kondo, Yasuhiro Kondo, Masahiro Hayakawa, Takuji Hatakeyama\",\"doi\":\"10.1039/d5mh01353d\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>An oxygen-sulfur replacement for improving thermally activated delayed fluorescence (TADF) materials based on a multiple-resonance (MR) effect is reported. A comprehensive computational analysis of four possible isomers revealed that the precise placement of the sulfur atom is crucial to suppress undesired spectral red-shifts. Among them, a promising deep-blue emitter, DOB2-DABNA-C-NP-S-1, exhibits emission at 458 nm with a narrow full width at half maximum (FWHM) of 20 nm. Moreover, its reverse intersystem crossing rate constant (<i>k</i><sub>RISC</sub>) of 2.9 × 10<sup>6</sup> s<sup>-1</sup> is three times larger than that of the oxygen-based analog (9.0 × 10<sup>5</sup> s<sup>-1</sup>). An OLED device incorporating DOB2-DABNA-C-NP-S-1 as an emitter achieves ultrapure deep-blue electroluminescence at 461 nm with Commission Internationale de l'Éclairage (CIE) coordinates of (0.133, 0.077), satisfying the blue emitter standards set by the National Television System Committee (NTSC). The device demonstrates outstanding external quantum efficiencies (EQEs) of 24.3% (at maximum), 23.9% (at 1000 cd m<sup>-2</sup>), and 18.7% (at 10 000 cd m<sup>-2</sup>), with the latter ranking the highest among the previously reported OLED devices employing deep-blue MR-TADF emitters.</p>\",\"PeriodicalId\":87,\"journal\":{\"name\":\"Materials Horizons\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":10.7000,\"publicationDate\":\"2025-10-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materials Horizons\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1039/d5mh01353d\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Horizons","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1039/d5mh01353d","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
报道了一种基于多共振（MR）效应改善热激活延迟荧光（TADF）材料的氧硫替代品。对四种可能的异构体进行的综合计算分析表明，硫原子的精确位置对于抑制不希望的光谱红移至关重要。其中，极具潜力的深蓝发射体DOB2-DABNA-C-NP-S-1的发射波长为458nm，半峰全宽为20nm。其逆系统间交叉速率常数（kRISC）为2.9 × 106 s-1，是氧基模拟物（9.0 × 105 s-1）的3倍。采用DOB2-DABNA-C-NP-S-1作为发射体的OLED器件在461 nm处实现了超纯深蓝电致发光，其国际委员会Éclairage （CIE）坐标为（0.133,0.077），满足国家电视系统委员会（NTSC）制定的蓝色发射体标准。该器件表现出出色的外部量子效率（EQEs），分别为24.3%（最大），23.9% （1000 cd m-2）和18.7% (10000 cd m-2)，后者在先前报道的采用深蓝MR-TADF发射器的OLED器件中排名最高。
Improving the TADF properties of deep-blue multiple-resonance emitters by strategic oxygen-sulfur replacement.
An oxygen-sulfur replacement for improving thermally activated delayed fluorescence (TADF) materials based on a multiple-resonance (MR) effect is reported. A comprehensive computational analysis of four possible isomers revealed that the precise placement of the sulfur atom is crucial to suppress undesired spectral red-shifts. Among them, a promising deep-blue emitter, DOB2-DABNA-C-NP-S-1, exhibits emission at 458 nm with a narrow full width at half maximum (FWHM) of 20 nm. Moreover, its reverse intersystem crossing rate constant (kRISC) of 2.9 × 106 s-1 is three times larger than that of the oxygen-based analog (9.0 × 105 s-1). An OLED device incorporating DOB2-DABNA-C-NP-S-1 as an emitter achieves ultrapure deep-blue electroluminescence at 461 nm with Commission Internationale de l'Éclairage (CIE) coordinates of (0.133, 0.077), satisfying the blue emitter standards set by the National Television System Committee (NTSC). The device demonstrates outstanding external quantum efficiencies (EQEs) of 24.3% (at maximum), 23.9% (at 1000 cd m-2), and 18.7% (at 10 000 cd m-2), with the latter ranking the highest among the previously reported OLED devices employing deep-blue MR-TADF emitters.
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