Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design
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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-01-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/2/348 |
| _version_ | 1797491637010563072 |
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| author | Yuting Wu Yanan Zhu Zewei Zhang Chongguang Zhao Junpeng He Chaoyi Yan Hong Meng |
| author_facet | Yuting Wu Yanan Zhu Zewei Zhang Chongguang Zhao Junpeng He Chaoyi Yan Hong Meng |
| author_sort | Yuting Wu |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T00:52:09Z |
| format | Article |
| id | doaj.art-b3f06e8567924f929d7237d45739d6c6 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T00:52:09Z |
| publishDate | 2022-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-b3f06e8567924f929d7237d45739d6c62023-11-23T14:50:41ZengMDPI AGMolecules1420-30492022-01-0127234810.3390/molecules27020348Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular DesignYuting Wu0Yanan Zhu1Zewei Zhang2Chongguang Zhao3Junpeng He4Chaoyi Yan5Hong Meng6School of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaSchool of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen 518055, ChinaMulti-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.https://www.mdpi.com/1420-3049/27/2/348TADFmulti-resonanceπ-conjugatetunabilitymolecular design |
| spellingShingle | Yuting Wu Yanan Zhu Zewei Zhang Chongguang Zhao Junpeng He Chaoyi Yan Hong Meng Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design Molecules TADF multi-resonance π-conjugate tunability molecular design |
| title | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| title_full | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| title_fullStr | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| title_full_unstemmed | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| title_short | Narrowband Deep-Blue Multi-Resonance Induced Thermally Activated Delayed Fluorescence: Insights from the Theoretical Molecular Design |
| title_sort | narrowband deep blue multi resonance induced thermally activated delayed fluorescence insights from the theoretical molecular design |
| topic | TADF multi-resonance π-conjugate tunability molecular design |
| url | https://www.mdpi.com/1420-3049/27/2/348 |
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