DICP OpenIR
The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures
Liu, Yujuan1,2,3; Liu, Xiaoyan1; Huang, Jindou2,3,4; Liu, Jianyong2,3; Xie, Shijie1; Zheng, Yujun1
KeywordCharge-transfer Mobility Oligothiophenes Molecular Structures
Source PublicationJOURNAL OF MOLECULAR MODELING
2016-08-01
ISSN1610-2940
DOI10.1007/s00894-016-3046-5
Volume22Issue:8
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Life Sciences & Biomedicine ; Physical Sciences ; Technology
WOS SubjectBiochemistry & Molecular Biology ; Biophysics ; Chemistry, Multidisciplinary ; Computer Science, Interdisciplinary Applications
WOS Research AreaBiochemistry & Molecular Biology ; Biophysics ; Chemistry ; Computer Science
WOS KeywordORGANIC SEMICONDUCTORS ; TRANSPORT PARAMETERS ; DENSITY FUNCTIONALS ; TRANSFER COMPLEXES ; NORMAL-MODE ; PENTATHIENOACENE ; SUBSTITUTION ; PERFORMANCE ; ELECTRON ; CRYSTAL
AbstractFused ring oligothiophenes and their derivatives, as active organic semiconductors, are widely used in electronic devices. The influence of molecular conjunction length on reorganization energy, electronic coupling and charge mobility of two fused ring oligothiophenes are investigated theoretically. The charge mobility of 2, 5-di(thiophen-2-yl)thieno [3, 2-b]thiophene (T - T-2 - T) with longer molecular conjunction length is 0.226 cm(2)V(-1)s(-1), which is nearly 3 times larger than that of 2, 2-bithieno[3, 2-b] thiophene (T-2 - T-2) as 0.085 cm(2)V(-1)s(-1). The investigation will provide a new perspective to design high mobility organic semiconductors.
Language英语
WOS IDWOS:000381203500012
PublisherSPRINGER
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/170097
Collection中国科学院大连化学物理研究所
Corresponding AuthorZheng, Yujun
Affiliation1.Shandong Univ, Sch Phys, Jinan 250100, Peoples R China
2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Chinese Acad Sci, Inst Chem Phys, Dalian 116023, Peoples R China
4.Dalian Nationalities Univ, Sch Phys & Mat Engn, Dalian 116600, Peoples R China
Recommended Citation
GB/T 7714
Liu, Yujuan,Liu, Xiaoyan,Huang, Jindou,et al. The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures[J]. JOURNAL OF MOLECULAR MODELING,2016,22(8).
APA Liu, Yujuan,Liu, Xiaoyan,Huang, Jindou,Liu, Jianyong,Xie, Shijie,&Zheng, Yujun.(2016).The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures.JOURNAL OF MOLECULAR MODELING,22(8).
MLA Liu, Yujuan,et al."The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures".JOURNAL OF MOLECULAR MODELING 22.8(2016).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, Yujuan]'s Articles
[Liu, Xiaoyan]'s Articles
[Huang, Jindou]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, Yujuan]'s Articles
[Liu, Xiaoyan]'s Articles
[Huang, Jindou]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, Yujuan]'s Articles
[Liu, Xiaoyan]'s Articles
[Huang, Jindou]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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