Simulation of Hole Mobility in alpha-Oligofuran Crystals

	Simulation of Hole Mobility in alpha-Oligofuran Crystals
	Huang, Jin-Dou 1,2; Wen, Shu-Hao 1; Deng, Wei-Qiao 1; Han, Ke-Li 1
刊名	journal of physical chemistry b
	2011-03-17
卷号	115 期号:10 页码:2140-2147
ISSN号	1520-6106
通讯作者	韩克利
产权排序	1,1
中文摘要	simulation of hole mobility in alpha-oligofuran crystals
英文摘要	we investigated oligofuran (nf) (n = 3, 4, 6) heterocyclic oligomers as p-type organic semiconductor materials, based on quantum chemistry calculations combined with the marcus hush electron transfer theory. it was found that 6f single crystal, with a structure similar to that of 6t, possesses high hole-transfer mobility, which is nearly 17 times larger than that of 6t single crystal. in addtion, the ionization potential (ip) value of 6f is about 5.60 ev, that is, slightly smaller than the ip value of 6t (5.74 ev). the relatively small ip values ensure effective hole injection from the source electrode. considering that 6t and functional oligothiophenes are active p-type semiconducting materials widely used in organic electronic devices, nfs and nf-based molecules have the potential to be developed as potential high efficiency p-type organic semiconducting materials.
学科主题	物理化学
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 ; charge-transport ; organic semiconductors ; hopping transport ; heterocyclic oligomers ; oligothiophene films ; thiophene ; energy ; oligo(thienylfuran)s ; spectroscopy
收录类别	SCI
语种	英语
WOS记录号	WOS:000288113300002
公开日期	2012-07-09
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/115253]
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Huang, Jin-Dou,Wen, Shu-Hao,Deng, Wei-Qiao,et al. Simulation of Hole Mobility in alpha-Oligofuran Crystals[J]. journal of physical chemistry b,2011,115(10):2140-2147.
APA	Huang, Jin-Dou,Wen, Shu-Hao,Deng, Wei-Qiao,&Han, Ke-Li.(2011).Simulation of Hole Mobility in alpha-Oligofuran Crystals.journal of physical chemistry b,115(10),2140-2147.
MLA	Huang, Jin-Dou,et al."Simulation of Hole Mobility in alpha-Oligofuran Crystals".journal of physical chemistry b 115.10(2011):2140-2147.