中国科学院化学研究所机构知识库
Advanced  
ICCAS OpenIR  > 有机固体实验室  > 期刊论文
题名: Unraveling the aggregation effect on amorphous phase AIE luminogens: a computational study
作者: Zheng, Xiaoyan1; Peng, Qian2; Zhu, Lizhe1; Xie, Yujun3; Huang, Xuhui1, 5; Shuai, Zhigang4
刊名: NANOSCALE
发表日期: 2016
卷: 8, 期:33, 页:15173-15180
收录类别: SCI
英文摘要: To achieve the efficient and precise regulation of aggregation-induced emission (AIE), unraveling the aggregation effects on amorphous AIE luminogens is of vital importance. Using a theoretical protocol combining molecular dynamics simulations and quantum mechanics/molecular mechanics calculations, we explored the relationship between molecular packing, optical spectra and fluorescence quantum efficiency of amorphous AIE luminogens hexaphenylsilole (HPS). We confirmed that the redshifted emission of amorphous aggregates as compared to crystalline HPS is caused by the lower packing density of amorphous HPS aggregates and the reduced restrictions on their intramolecular low-frequency vibrational motions. Strikingly, our calculations revealed the size independent fluorescence quantum efficiency of nanosized HPS aggregates and predicted the linear relationship between the fluorescence intensity and aggregate size. This is because the nanosized aggregates are dominated by embedded HPS molecules which exhibit similar fluorescence quantum efficiency at different aggregate sizes. In addition, our results provided a direct explanation for the crystallization-enhanced emission phenomenon of propeller-shaped AIE luminogens in experiments. Our theoretical protocol is general and applicable to other AIE luminogens, thus laying solid foundation for the rational design of advanced AIE materials.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35239
Appears in Collections:有机固体实验室_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China
2.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Organ Solids, Beijing 100190, Peoples R China
3.Wuhan Univ, Dept Chem, Wuhan 430072, Peoples R China
4.Tsinghua Univ, Dept Chem, Key Lab Organ OptoElect & Mol Engn, Beijing 100084, Peoples R China
5.Hong Kong Univ Sci & Technol, Hong Kong Branch Chinese Natl Engn Res Ctr Tissue, Kowloon, Hong Kong, Peoples R China
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Zheng, Xiaoyan]'s Articles
[Peng, Qian]'s Articles
[Zhu, Lizhe]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Zheng, Xiaoyan]‘s Articles
[Peng, Qian]‘s Articles
[Zhu, Lizhe]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Copyright © 2007-2017  中国科学院化学研究所 - Feedback
Powered by CSpace