Position Optimization of Bulky Tetraphenylsilane in Multiple Resonance Molecules for Highly Efficient Narrowband OLEDs

IF 13 2区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Small Pub Date : 2025-01-15 DOI:10.1002/smll.202409328
Jue-Yao Bai, Jun-Yu Liu, Zhen Zhang, Yi-Hui He, Guo-Wei Chen, Yan-Chun Wang, Hao-Ze Li, Feng-Ming Xie, Jian-Xin Tang, Yan-Qing Li
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引用次数: 0

Abstract

Multiple resonance (MR)-type thermally activated delayed fluorescence (TADF) emitters have garnered significant interest due to their narrow full width at half maximum (FWHM) and high electroluminescence efficiency. However, the planar structures and large singlet-triplet energy gaps (ΔESTs) characteristic of MR-TADF molecules pose challenges to achieving high-performance devices. Herein, two isomeric compounds, p-TPS-BN and m-TPS-BN, are synthesized differing in the connection modes between a bulky tetraphenylsilane (TPS) group and an MR core. This strategy aims to suppress intermolecular interactions, reduce ΔEST values, and investigate how connection positions influence photoelectric properties. Both compounds exhibit remarkably small ΔEST values (0.08–0.09 eV) and high internal quantum yields (95.0–97.8%). Notably, p-TPS-BN demonstrates a faster reverse intersystem crossing (RISC) with a rate constant of 2.54 × 10⁵ s⁻¹, attributed to its optimal long-range charge transfer (LRCT) process. A narrowband device employing p-TPS-BN achieves a maximum external quantum efficiency of 35.8% with an FWHM of 36 nm. This work offers an effective framework for studying structure-property relationships in MR molecules, paving the way for the development of high-efficiency electroluminescent devices.

Abstract Image

大体积四苯基硅烷在高效窄带oled多共振分子中的位置优化
多共振(MR)型热激活延迟荧光(TADF)发射器由于其半最大全宽窄(FWHM)和高电致发光效率而引起了人们的极大兴趣。然而,MR - TADF分子的平面结构和大的单重态-三重态能隙(ΔESTs)特征给实现高性能器件带来了挑战。本文合成了两种异构体化合物,p - TPS - BN和m - TPS - BN,它们在大体积的四苯基硅烷(TPS)基团和MR核之间的连接模式不同。该策略旨在抑制分子间相互作用,降低ΔEST值,并研究连接位置如何影响光电特性。两种化合物均具有非常小的ΔEST值(0.08-0.09 eV)和高内量子产率(95.0-97.8%)。值得注意的是,p‐TPS‐BN表现出更快的反向系统间交叉(RISC),速率常数为2.54 × 10 5 -⁻¹,这归功于其最佳的长距离电荷转移(LRCT)过程。采用p - TPS - BN的窄带器件的最大外量子效率为35.8%,FWHM为36 nm。这项工作为研究MR分子的结构-性质关系提供了一个有效的框架,为开发高效电致发光器件铺平了道路。
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来源期刊
Small
Small 工程技术-材料科学:综合
CiteScore
17.70
自引率
3.80%
发文量
1830
审稿时长
2.1 months
期刊介绍: Small serves as an exceptional platform for both experimental and theoretical studies in fundamental and applied interdisciplinary research at the nano- and microscale. The journal offers a compelling mix of peer-reviewed Research Articles, Reviews, Perspectives, and Comments. With a remarkable 2022 Journal Impact Factor of 13.3 (Journal Citation Reports from Clarivate Analytics, 2023), Small remains among the top multidisciplinary journals, covering a wide range of topics at the interface of materials science, chemistry, physics, engineering, medicine, and biology. Small's readership includes biochemists, biologists, biomedical scientists, chemists, engineers, information technologists, materials scientists, physicists, and theoreticians alike.
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