Theoretical Study on Benzazole Derivatives for Use in Blue Thermally Activated Delayed Fluorescence Emitters
DC Field | Value | Language |
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dc.contributor.author | Kwon, Dong Yuel | - |
dc.contributor.author | Lee, Geon Hyeong | - |
dc.contributor.author | Kim, Young Sik | - |
dc.date.available | 2020-07-10T07:00:45Z | - |
dc.date.created | 2020-07-06 | - |
dc.date.issued | 2015-10 | - |
dc.identifier.issn | 1533-4880 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/9434 | - |
dc.description.abstract | Four novel thermally activated delayed fluorescence (TADF) materials with 9,10-dihydro-9,9-dimethylacridine (DMAC) and phenylindolo(2,3-a)carbazole (PIC) as electron donors and benzazole derivatives (BO, and BT) as electron acceptors (DMAC-BO, DMAC-BT, PIC-BO, and PIC-BT) were designed and theoretically investigated for use as a blue organic light emitting diode (OLED) emitter. Using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations, we calculated the electron distribution of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), and the energy of the lowest singlet (S-1) and the lowest triplet (T-1) excited states. All the dyes had a small spatial overlap between the HOMO and LUMO because of the relatively large dihedral angle between the phenyl ring and the acceptor moiety. In terms of the energy difference (Delta E-ST) between the S-1 state and the T-1 state, DMAC-BO and DMAC-BT showed the small Delta E-ST (0.18 eV and 0.21 eV, respectively). However, PIC-BO and PIC-BT showed the large Delta E-ST (0.62 eV and 0.61 eV, respectively). Among the TADF materials, we showed that DMAC-BO would have the best TADF properties in terms of small Delta E-ST and blue OLED emitters. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | AMER SCIENTIFIC PUBLISHERS | - |
dc.subject | EFFICIENCY | - |
dc.subject | DEVICES | - |
dc.subject | COMPLEXES | - |
dc.subject | SINGLET | - |
dc.subject | DIODES | - |
dc.title | Theoretical Study on Benzazole Derivatives for Use in Blue Thermally Activated Delayed Fluorescence Emitters | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Young Sik | - |
dc.identifier.doi | 10.1166/jnn.2015.11174 | - |
dc.identifier.scopusid | 2-s2.0-84947272378 | - |
dc.identifier.wosid | 000365554600076 | - |
dc.identifier.bibliographicCitation | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.15, no.10, pp.7819 - 7822 | - |
dc.relation.isPartOf | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | - |
dc.citation.title | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | - |
dc.citation.volume | 15 | - |
dc.citation.number | 10 | - |
dc.citation.startPage | 7819 | - |
dc.citation.endPage | 7822 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.subject.keywordPlus | EFFICIENCY | - |
dc.subject.keywordPlus | DEVICES | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | SINGLET | - |
dc.subject.keywordPlus | DIODES | - |
dc.subject.keywordAuthor | Thermally Activated Delayed Fluorescence (TADF) | - |
dc.subject.keywordAuthor | OLED | - |
dc.subject.keywordAuthor | TDDFT | - |
dc.subject.keywordAuthor | Blue Emitter | - |
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