Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers
文献类型：期刊论文
| 作者 | Zhang, Zi-Long1,2; Zou, Lu-Yi1; Ren, Ai-Min1; Liu, Ying-Fang1; Feng, Ji-Kang1; Sun, Chia-Chung1 |
| 刊名 | DYES AND PIGMENTS
 |
| 出版日期 | 2013-02-01 |
| 卷号 | 96期号:2页码:349-363 |
| 关键词 | Triazatruxene Heterofluorene Co-polymer Oleds Electronic Structures Optical Properties |
| ISSN号 | 0143-7208 |
| DOI | 10.1016/j.dyepig.2012.08.020 |
| 英文摘要 | Triazatruxene derivatives and heterofluorenes have drawn increasing attention in the applications of OLED devices due to their particular electronic structures and optical properties. To improve on the thermal and morphological stability and enhance electroluminescent (EL) efficiency, six series of star-shaped triazatruxene/heterofluorene co-polymers have been designed. To reveal structure property relationships of the novel functional materials, an in-depth theoretical investigation was elaborated using the density functional theory (OFT) and time-dependent density functional theory (TDDFT) methods. The results HOMOs, LUMOs, A(H-L), E-g, as well as some other electronic structures and IPs, EAs, lambda, tau, the absorption and emission spectra can be tuned by the introduction of heterofluorenes into the triazatruxene core. The various properties of these co-polymers were obtained by extrapolating those of the co-oligomers to infinite chain length. It was concluded that these triazatruxene/heterofluorene co-polymers are interesting optoelectronic functional materials, which have great potential for the application in OLEDs. (C) 2012 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000313762300006 |
| 出版者 | ELSEVIER SCI LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/46379]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ren, Ai-Min |
| 作者单位 | 1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China 2.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Zi-Long,Zou, Lu-Yi,Ren, Ai-Min,et al. Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers[J]. DYES AND PIGMENTS,2013,96(2):349-363. |
| APA | Zhang, Zi-Long,Zou, Lu-Yi,Ren, Ai-Min,Liu, Ying-Fang,Feng, Ji-Kang,&Sun, Chia-Chung.(2013).Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers.DYES AND PIGMENTS,96(2),349-363. |
| MLA | Zhang, Zi-Long,et al."Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers".DYES AND PIGMENTS 96.2(2013):349-363. |
入库方式： OAI收割
来源：化学研究所
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