硼氧掺杂π扩展纳米石墨烯:有机发光二极管的发光材料

IF 7.2 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Mohan Gandhi Devulapally, Kiun Cheong, Jangho Moon, Rajkumar Nagavath, Jae Hee Lee, Jun Yeob Lee, Wan Pyo Hong
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引用次数: 0

摘要

通过杂原子掺入和拓扑边缘控制来扩展六苯并[a,c,fg,j,l,op]四烯(HBT)的分子框架对于获得理想的光物理性质至关重要。然而,杂原子掺杂HBT衍生物的合成仍然具有很高的挑战性,并且尚未建立有效的分子设计策略。本文采用顺序Scholl环化策略合成了硼(B)-和氧(O)掺杂的扩展HBT (BO-HBT)。这项工作是B/ o扩展HBT分子的第一个例子,表明杂原子掺入和外围烷基修饰可以精确调节其电子结构和光子特性。结果表明,BO-HBT具有较低的带隙(2.55 eV),较强的电化学稳定性,水平发射偶极子取向比为88%,在甲苯中具有较高的光致发光量子产率62.8%。密度泛函理论计算进一步阐明了BO-HBT的荧光机理,发现BO-HBT的所有前沿轨道主要集中在中心芘和含硼部分,外围联苯部分起次要作用。因此,BO-HBT的氧化还原和光致发光性质与BO-BPP非常相似,BO-BPP是一种结构相关的B/ o融合芘体系。值得注意的是,BO-HBT在有机发光二极管(oled)中作为发光掺杂材料表现出了良好的性能,在纯绿色可见光区域实现了高达6.2%的外部量子效率,在高荧光器件中实现了超过10%的外部量子效率。这些结果代表了HBT衍生物作为oled发射掺杂剂的首次成功演示,并强调了BO-HBT在先进光电应用方面的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Boron- and Oxygen-Doped π-Extended Nanographene: An Emitting Material for Organic Light-Emitting Diodes

Boron- and Oxygen-Doped π-Extended Nanographene: An Emitting Material for Organic Light-Emitting Diodes

Expanding the molecular framework of hexabenzo[a,c,fg,j,l,op]tetracene (HBT) via heteroatom incorporation and topological edge control is crucial for achieving desired photophysical properties. However, synthesizing heteroatom-doped HBT derivatives remains highly challenging, and effective molecular design strategies have not yet been established. Herein, the synthesis of boron (B)- and oxygen (O)-doped expanded HBT (BO-HBT) is carried using a sequential Scholl cyclization strategy. This work is the first example of a B/O-expanded HBT molecule, demonstrating that heteroatom incorporation and peripheral alkyl group modifications enable accurate tuning of its electronic structure and photonic properties. Consequently, BO-HBT exhibits a reduced bandgap (2.55 eV), robust electrochemical stability, a horizontal emitting dipole orientation ratio of 88%, and a high photoluminescence quantum yield of 62.8% in toluene. Density functional theory calculations further elucidate its fluorescence mechanism, revealing that all the frontier orbitals of BO-HBT are predominantly localized in the central pyrene and boron-containing parts and the peripheral biphenyl moieties play a minor role. Hence, the redox and photoluminescence properties of BO-HBT closely resemble those of BO-BPP, a structurally related B/O-fused pyrene system. Notably, BO-HBT demonstrated promising performance as an emitting dopant material in organic light-emitting diodes (OLEDs), achieving an external quantum efficiency of up to 6.2% in the pure green visible region and exceeding 10% in hyperfluorescent devices. These results represent the first successful demonstration of an HBT derivative as an emissive dopant in OLEDs and underscore BO-HBT's potential for advanced optoelectronic applications.

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来源期刊
Advanced Optical Materials
Advanced Optical Materials MATERIALS SCIENCE, MULTIDISCIPLINARY-OPTICS
CiteScore
13.70
自引率
6.70%
发文量
883
审稿时长
1.5 months
期刊介绍: Advanced Optical Materials, part of the esteemed Advanced portfolio, is a unique materials science journal concentrating on all facets of light-matter interactions. For over a decade, it has been the preferred optical materials journal for significant discoveries in photonics, plasmonics, metamaterials, and more. The Advanced portfolio from Wiley is a collection of globally respected, high-impact journals that disseminate the best science from established and emerging researchers, aiding them in fulfilling their mission and amplifying the reach of their scientific discoveries.
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