Theoretical Studies on 2-Hexylthieno[3,2-b]thiophene End-Capped Oligomers for Organic Semiconductor Materials

被引：0
|
作者：
Park, Young Hee [1 ,2 ]
Kim, Yun-Hi [2 ,3 ]
Kwon, Soon-Ki [4 ,5 ]
Koo, In Sun [1 ,2 ]
Yang, Kiyull [1 ,2 ]
机构：
[1] Gyeongsang Natl Univ, Dept Chem Educ, Jinju 660701, South Korea
[2] Gyeongsang Natl Univ, Res Inst Nat Sci, Jinju 660701, South Korea
[3] Gyeongsang Natl Univ, Dept Chem, Jinju 660701, South Korea
[4] Gyeongsang Natl Univ, Sch Mat Sci & Engn, Jinju 660701, South Korea
[5] Gyeongsang Natl Univ, ERI, Jinju 660701, South Korea
来源：
BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2012年 / 33卷 / 04期
关键词：
Reorganization energy; Organic thin film transistor; Hole transport; Organic semiconductor; Density functional theory; FIELD-EFFECT TRANSISTORS; THIN-FILM-TRANSISTOR; DENSITY-FUNCTIONAL THEORY; HIGH-PERFORMANCE; ENERGY-TRANSFER; CONJUGATED OLIGOMERS; ELECTRONIC-STRUCTURE; P-TYPE; CHARGE; POLYMERS;
D O I：
10.5012/bkcs.2012.33.4.1213
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The reorganization energy and the spectroscopic properties of 2,6-bis(5'-hexyl-thieno[3,2-b]thiophene-2'-yl)naphthalene (DH-TNT) and 2,6-bis(5'-hexyl-thieno[3,2-b]thiophene-2'-yl)anthracene (DH-TAT), which are composed of an acene unit and alkylated thienothiophene on both sides, as organic materials for display devices were calculated and the results were compared with experimental values. The lower reorganization energy of the DH-TAT over the DH-TNT calculated by the density functional theory is attributed to a smaller vibrational distortion because of the heavier building block of DH-TAT, and it shows a good field effect performance over the DH-TNT. The calculated spectra and the other spectroscopic characteristic of the compounds are well consistent with those of observed results.
引用
收藏
页码：1213 / 1219
页数：7
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