Computational methods for design of organic materials with high charge mobility

doi:10.1039/b816406c

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	Computational methods for design of organic materials with high charge mobility
	Wang, Linjun 1; Nan, Guangjun 1; Yang, Xiaodi 1; Peng, Qian 1; Li, Qikai 1; Shuai, Zhigang 1,2
刊名	CHEMICAL SOCIETY REVIEWS
	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
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000274072100003
内容类型	期刊论文
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.