| Title | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| Authors | Wu, Yuting Zhu, Yanan Zhang, Zewei Zhao, Chongguang He, Junpeng Yan, Chaoyi Meng, Hong |
| Affiliation | Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China State High Tech Ind Innovat Ctr, Shenzhen 518057, Peoples R China |
| Keywords | LIGHT-EMITTING-DIODES EFFICIENCY MECHANISM EMITTERS |
| Issue Date | Jan-2022 |
| Publisher | MOLECULES |
| Abstract | 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 pi-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. |
| URI | http://hdl.handle.net/20.500.11897/638357 |
| DOI | 10.3390/molecules27020348 |
| Indexed | SCI(E) |
| Appears in Collections: | 深圳研究生院待认领 |
