First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors
文献类型：期刊论文
| 作者 | Wen, Shu-Hao1,2; Li, An1; Song, Junling1; Deng, Wei-Qiao1,2; Han, Ke-Li2; Goddard, William A., III3 |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2009-07-02 |
| 卷号 | 113期号:26页码:8813-8819 |
| 产权排序 | 2;1 |
| 通讯作者 | 邓伟侨 ; 韩克利 ; william a. goddard iii |
| 英文摘要 | we report a simple first-principles-based simulation model (combining quantum mechanics with marcus-hush theory) that provides the quantitative structural relationships between angular resolution anisotropic hole mobility and molecular structures and packing. we validate that this model correctly predicts the anisotropic hole mobilities of ruberene, pentacene, tetracene, 5,11-dichlorotetracene (dct), and hexathiapentacene (htp), leading to results in good agreement with experiment. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | field-effect transistors ; thin-film transistors ; single-crystal ; charge-transport ; carrier transport ; electron-transfer ; rubrene ; performance ; pentacene ; hexathiapentacene |
| 收录类别 | SCI |
| 原文出处 | false |
| 语种 | 英语 |
| WOS记录号 | WOS:000267384400003 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/102017]  |
| 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 |
| 作者单位 | 1.Nanyang Technol Univ, Sch Phys & Math Sci, Div Chem & Biol Chem, Singapore 637616, Singapore 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA |
| 推荐引用方式 GB/T 7714 | Wen, Shu-Hao,Li, An,Song, Junling,et al. First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors[J]. journal of physical chemistry b,2009,113(26):8813-8819. |
| APA | Wen, Shu-Hao,Li, An,Song, Junling,Deng, Wei-Qiao,Han, Ke-Li,&Goddard, William A., III.(2009).First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors.journal of physical chemistry b,113(26),8813-8819. |
| MLA | Wen, Shu-Hao,et al."First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors".journal of physical chemistry b 113.26(2009):8813-8819. |
入库方式： OAI收割
来源：大连化学物理研究所
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