Excited state properties of neutral and charged ter-fluorene with and without a keto-defect
文献类型：期刊论文
| 作者 | Beenken, W. J. D.1; Sun, M.2; Zhao, G.3; Pullerits, T.4 |
| 刊名 | physica status solidi b-basic solid state physics
 |
| 出版日期 | 2008-05-01 |
| 卷号 | 245期号:5页码:849-853 |
| 产权排序 | 3;3 |
| 通讯作者 | w.j.d.beenken1 |
| 英文摘要 | stimulated by the recent experimental report of optical properties of charged oligofluorenes [s. fratiloiu et al., j. phys. chem. b 210, 59845993 (2006)], we have used time-dependent density functional theory (td-dft) to study the electronic structure of neutral and charged ter-fluorene with and without keto-defect. we have characterized the excited states by site- and space-based representations of the density matrix. for the defectless neutral species we found typical excitons, while the first excited states of the corresponding charged species represent long-range oscillations of the electron or hole along the whole oligomer. for the neutral ketonized ter-fluorene we found trapping of the excited electron. similarly, the unpaired electron of the anion ground' state is trapped. the excited state properties of the cation; however, are insensitive to the keto-defect. (c) 2008 wiley-vch verlag gmbh & co. kgaa, weinheim. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, condensed matter |
| 研究领域[WOS] | physics |
| 关键词[WOS] | electronic-structure ; energy-transfer ; green emission ; oligofluorenes ; polyfluorenes ; units |
| 收录类别 | ISTP ; SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000256242300015 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/101173]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Tech Univ Ilmenau, D-98693 Ilmenau, Germany 2.Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100080, Peoples R China 3.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 4.Lund Univ, Dept Chem Phys, S-22100 Lund, Sweden |
| 推荐引用方式 GB/T 7714 | Beenken, W. J. D.,Sun, M.,Zhao, G.,et al. Excited state properties of neutral and charged ter-fluorene with and without a keto-defect[J]. physica status solidi b-basic solid state physics,2008,245(5):849-853. |
| APA | Beenken, W. J. D.,Sun, M.,Zhao, G.,&Pullerits, T..(2008).Excited state properties of neutral and charged ter-fluorene with and without a keto-defect.physica status solidi b-basic solid state physics,245(5),849-853. |
| MLA | Beenken, W. J. D.,et al."Excited state properties of neutral and charged ter-fluorene with and without a keto-defect".physica status solidi b-basic solid state physics 245.5(2008):849-853. |
入库方式： OAI收割
来源：大连化学物理研究所
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