Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design

Autor: Yuting Wu, Yanan Zhu, Zewei Zhang, Chongguang Zhao, Junpeng He, Chaoyi Yan, Hong Meng
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Molecules, Vol 27, Iss 2, p 348 (2022)
Druh dokumentu: article
ISSN: 1420-3049
DOI: 10.3390/molecules27020348
Popis: Multi-resonance thermal activated delayed fluorescence (MR-TADF) has been promising with large oscillator strength and narrow full width at half maxima of luminescence, overcoming the compromise of emission intensity and energy criteria of traditional charge transfer TADF frameworks. However, there are still limited theoretical investigations on the excitation mechanism and systematic molecular manipulation of MR-TADF structures. We systematically study the highly localized excitation (LE) characteristics based on typical blue boron-nitrogen (BN) MR-TADF emitters and prove the potential triangular core with theoretical approaches. A design strategy by extending the planar π-conjugate core structure is proposed to enhance the multiple resonance effects. Moreover, several substituted groups are introduced to the designed core, achieving color-tunable functions with relatively small energy split and strong oscillator strength simultaneously. This work provides a theoretical direction for molecular design strategy and a series of potential candidates for highly efficient BN MR-TADF emitters.
Databáze: Directory of Open Access Journals
Nepřihlášeným uživatelům se plný text nezobrazuje