The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures
文献类型：期刊论文
| 作者 | Liu, Yujuan1,2,3; Liu, Xiaoyan1; Huang, Jindou2,3,4; Liu, Jianyong2,3; Xie, Shijie1; Zheng, Yujun1 |
| 刊名 | JOURNAL OF MOLECULAR MODELING
 |
| 出版日期 | 2016-08-01 |
| 卷号 | 22期号:8 |
| 关键词 | Charge-transfer Mobility Oligothiophenes Molecular Structures |
| ISSN号 | 1610-2940 |
| DOI | 10.1007/s00894-016-3046-5 |
| 文献子类 | Article |
| 英文摘要 | Fused 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. |
| WOS关键词 | ORGANIC SEMICONDUCTORS ; TRANSPORT PARAMETERS ; DENSITY FUNCTIONALS ; TRANSFER COMPLEXES ; NORMAL-MODE ; PENTATHIENOACENE ; SUBSTITUTION ; PERFORMANCE ; ELECTRON ; CRYSTAL |
| WOS研究方向 | Biochemistry & Molecular Biology ; Biophysics ; Chemistry ; Computer Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000381203500012 |
| 出版者 | SPRINGER |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/170096]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Zheng, Yujun |
| 作者单位 | 1.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 |
| 推荐引用方式 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). |
入库方式： OAI收割
来源：大连化学物理研究所
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