Thermally activated delayed fluorescence host materials based on triphenylphosphine oxide derivatives
DC Field | Value | Language |
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dc.contributor.author | Choi, Dong Ho | - |
dc.contributor.author | Kim, Young Sik | - |
dc.date.available | 2020-07-10T03:00:40Z | - |
dc.date.created | 2020-07-06 | - |
dc.date.issued | 2019-05-24 | - |
dc.identifier.issn | 1542-1406 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/1557 | - |
dc.description.abstract | Novel thermally activated delayed fluorescence (TADF) host molecules for blue electrophosphorescence were developed by combining the electron donor acridine derivatives with the electron acceptor triphenylphosphine oxide unit in a single molecule based on density functional theory. We obtained the energies of the first excited singlet (S-1) and triplet (T-1) states of the TADF materials by performing procedures in accordance with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations to the ground state using dependence on the charge transfer amounts for the optimal Hartree-Fock percentage in the exchange-correlation of TD-DFT. Using DFT and TD-DFT calculations, the significant separation between the HOMO and LUMO caused a small difference in energy (?E-ST) between the S-1 and T-1 states. The host molecules retained high triplet energy and showed great potential for use in blue phosphorescent organic light-emitting diodes. The results also showed that these molecules are promising TADF host materials because they demonstrate a low barrier to hole and electron injection, balanced charge transport for both holes and electrons, and small ?E-ST. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | TAYLOR & FRANCIS LTD | - |
dc.subject | EFFICIENCY | - |
dc.subject | SINGLET | - |
dc.title | Thermally activated delayed fluorescence host materials based on triphenylphosphine oxide derivatives | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Young Sik | - |
dc.identifier.doi | 10.1080/15421406.2019.1645463 | - |
dc.identifier.scopusid | 2-s2.0-85073231616 | - |
dc.identifier.wosid | 000488886200011 | - |
dc.identifier.bibliographicCitation | MOLECULAR CRYSTALS AND LIQUID CRYSTALS, v.685, no.1, pp.71 - 77 | - |
dc.relation.isPartOf | MOLECULAR CRYSTALS AND LIQUID CRYSTALS | - |
dc.citation.title | MOLECULAR CRYSTALS AND LIQUID CRYSTALS | - |
dc.citation.volume | 685 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 71 | - |
dc.citation.endPage | 77 | - |
dc.type.rims | ART | - |
dc.type.docType | Article; Proceedings Paper | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Crystallography | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Crystallography | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.subject.keywordPlus | EFFICIENCY | - |
dc.subject.keywordPlus | SINGLET | - |
dc.subject.keywordAuthor | density functional theory (DFT) | - |
dc.subject.keywordAuthor | time-dependent density functional theory (TD-DFT) | - |
dc.subject.keywordAuthor | organic light-emitting diode (OLED) | - |
dc.subject.keywordAuthor | thermally activated delayed fluorescence (TADF) | - |
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