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题名: Excited state properties of neutral and charged ter-fluorene with and without a keto-defect
作者: Beenken, W. J. D.1;  Sun, M.2;  Zhao, G.3;  Pullerits, T.4
通讯作者: W.J.D.Beenken1
刊名: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
发表日期: 2008-05-01
DOI: 10.1002/pssb.200743442
卷: 245, 期:5, 页:849-853
收录类别: ISTP ;  SCI
文章类型: Article
部门归属: 11
项目归属: 1101
产权排名: 3;3
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Condensed Matter
研究领域[WOS]: Physics
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.
关键词[WOS]: ELECTRONIC-STRUCTURE ;  ENERGY-TRANSFER ;  GREEN EMISSION ;  OLIGOFLUORENES ;  POLYFLUORENES ;  UNITS
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000256242300015
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/101173
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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