DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes
文献类型：期刊论文
| 作者 | Shi LL ; Hong B ; Guan W ; Wu ZJ ; Su ZM |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 2010 |
| 卷号 | 114期号:24页码:6559-6564 |
| 关键词 | ORGANIC ELECTROLUMINESCENT DEVICES HETEROCYCLIC CARBENE LIGANDS EXTERNAL QUANTUM EFFICIENCY EFFECTIVE CORE POTENTIALS ELECTROPHOSPHORESCENT DEVICES MOLECULAR CALCULATIONS PHOSPHORESCENT OLEDS ENERGY-TRANSFER DIODES DENSITY |
| ISSN号 | 1089-5639 |
| 通讯作者 | wu zj |
| 中文摘要 | the electronic structures and optoelectronic properties of several blue-emitting phosphors (dfppy)(2)ir(pyn2), (dfppy)ir(pyn2)(2), and (fpmb)(2)ir(pyn3) [dfppyh: 2-(2,4-difluorophenyl)pyridine; pyn2h: 5-(2-pyridyl)-3-trifluoromethylpyrazole; hfpmb: 1-(4-fluorophenyl)-2,3-dihydro-3-methyl-1h-benzo[d]imidazole; and pyn3h: 2-(5-(trifluoromethyl)-2h-1,2,4-triazol-3-yl)pyridine] are investigated with density functional theory. the injection abilities of holes and electrons are estimated by evaluating the ionization potentials and electron affinities. it is found that the properties of the ligands have great influence on the photophysical properties, such as energy gap, absorption spectra, emission spectra, etc. the assumed complex (dfppy)(2)ir(pyn2) is found to be a good candidate for blue-emitting material. we suggest that the luminescent properties of this class of materials can be tuned by modifications of the corresponding ligands. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000278805700001 |
| 公开日期 | 2012-04-26 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43653]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Shi LL,Hong B,Guan W,et al. DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes[J]. journal of physical chemistry a,2010,114(24):6559-6564. |
| APA | Shi LL,Hong B,Guan W,Wu ZJ,&Su ZM.(2010).DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes.journal of physical chemistry a,114(24),6559-6564. |
| MLA | Shi LL,et al."DFT/TD-DFT Study on the Electronic Structures and Optoelectronic Properties of Several Blue-Emitting Iridium(III) Complexes".journal of physical chemistry a 114.24(2010):6559-6564. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。