Computational methods for design of organic materials with high charge mobility
文献类型：期刊论文
| 作者 | Wang, Linjun1; Nan, Guangjun1; Yang, Xiaodi1; Peng, Qian1; Li, Qikai1; Shuai, Zhigang1,2 |
| 刊名 | CHEMICAL SOCIETY REVIEWS
 |
| 出版日期 | 2010 |
| 卷号 | 39期号:2页码:423-434 |
| ISSN号 | 0306-0012 |
| DOI | 10.1039/b816406c |
| 英文摘要 | Charge carrier mobility is at the center of organic electronic devices. The strong couplings between electrons and nuclear motions lead to complexities in theoretical description of charge transport, which pose a major challenge for the fundamental understanding and computational design of transport organic materials. This tutorial review describes recent progresses in developing computational tools to assess the carrier mobility in organic molecular semiconductors at the first-principles level. Some rational molecular design strategies for high mobility organic materials are outlined. |
| 语种 | 英语 |
| WOS记录号 | WOS:000274072100003 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/69393]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shuai, Zhigang |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, Key Lab Organ Solids, BNLMS, Beijing 100190, Peoples R China 2.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Linjun,Nan, Guangjun,Yang, Xiaodi,et al. Computational methods for design of organic materials with high charge mobility[J]. CHEMICAL SOCIETY REVIEWS,2010,39(2):423-434. |
| APA | Wang, Linjun,Nan, Guangjun,Yang, Xiaodi,Peng, Qian,Li, Qikai,&Shuai, Zhigang.(2010).Computational methods for design of organic materials with high charge mobility.CHEMICAL SOCIETY REVIEWS,39(2),423-434. |
| MLA | Wang, Linjun,et al."Computational methods for design of organic materials with high charge mobility".CHEMICAL SOCIETY REVIEWS 39.2(2010):423-434. |
入库方式： OAI收割
来源：化学研究所
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