Unraveling the role of the external electric field on the photo-physical properties of thermally activated delayed fluorescence
DC Field | Value | Language |
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dc.contributor.author | Kang, S. | - |
dc.contributor.author | Kim, T. | - |
dc.date.accessioned | 2023-04-24T03:40:34Z | - |
dc.date.available | 2023-04-24T03:40:34Z | - |
dc.date.issued | 2023-06-01 | - |
dc.identifier.issn | 2468-5194 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/31104 | - |
dc.description.abstract | Density functional theory (DFT) calculations were performed to understand the effect of the external electric field (EEF) on the essential photo-physical properties of phenozazine-triphenyltriazine (PXZ-TRZ) emitter. Interestingly, the increases in ΔEST values were equally observed under EEFx/y/z = 5.0 × 106 V/cm due to the significant changes in molecular and electronic structures in T1 state. Moreover, spin-orbit couplings (SOCs) under EEFz = 5.0 × 105 V/cm and EEFy/z = 5.0 × 106 V/cm were tremendously augmented, whereas the SOC extremely decreased in the presence of EEFy = 5.0 × 105 V/cm and EEFx = 5.0 × 106 V/cm. Correspondingly, the calculated reverse intersystem crossing rate (kRISC) values are drastically improved in the presence of the EEFy/z = 5.0 × 106 V/cm. On the other hand, the effects of the EEFx = 5.0 × 106 V/cm and EEFy = 5.0 × 105 V/cm on the kRISC were determined to be disadvantageous. Consequently, our theoretical study clearly informs that the role of EEF on the photo-physical properties of TADF materials should be importantly considered as one of the determinants for characterizing TADF materials in the solid-state device. © 2023 Elsevier Ltd | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | Elsevier Ltd | - |
dc.title | Unraveling the role of the external electric field on the photo-physical properties of thermally activated delayed fluorescence | - |
dc.type | Article | - |
dc.publisher.location | 영국 | - |
dc.identifier.doi | 10.1016/j.mtchem.2023.101515 | - |
dc.identifier.scopusid | 2-s2.0-85152120282 | - |
dc.identifier.wosid | 000984624700001 | - |
dc.identifier.bibliographicCitation | Materials Today Chemistry, v.30 | - |
dc.citation.title | Materials Today Chemistry | - |
dc.citation.volume | 30 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.subject.keywordAuthor | Emission energy | - |
dc.subject.keywordAuthor | External electric field | - |
dc.subject.keywordAuthor | Reverse intersystem crossing rate | - |
dc.subject.keywordAuthor | Spin-orbit coupling | - |
dc.subject.keywordAuthor | Thermally activated delayed fluorescence | - |
dc.subject.keywordAuthor | ΔES-T | - |
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