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, WJD ; Sun, M ; Zhao, G ; Pullerits, T |
| 刊名 | PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
 |
| 出版日期 | 2008 |
| 卷号 | 245期号:5页码:849 |
| ISSN号 | 0370-1972 |
| 中文摘要 | 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. |
| 收录类别 | SCI |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37741]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Beenken, WJD,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. |
| APA | Beenken, WJD,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. |
| MLA | Beenken, WJD,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. |
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来源：物理研究所
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