Anisotropic charge transport in flavonoids as organic semiconductors

	Anisotropic charge transport in flavonoids as organic semiconductors
	Hou, Chunyuan 1,2; Chen, Xin 1
刊名	molecular physics
	2015-03-04
卷号	113 期号:5 页码:521-528
关键词	organic semiconductor charge transport anisotropic flavonoid
英文摘要	a quantum mechanical approach has been used to investigate on the potential for using two naturally occurring flavonoids: quercetin and luteolin as candidates for organic semiconductor. selection of flavonoids enables to evaluate the effects of hydroxyl group structural features. the relationship between molecular packing and charge transport in flavonoids is presented. the calculated results indicate that quercetin should be an ideal candidate as high-performance p-type organic semiconductor material, while luteolin is predicted as n-type organic semiconductor material. the predicted maximum electron mobility value of quercetin is 0.075cm(2) v-1 s(-1), which appears at the orientation angle near 91 degrees/271 degrees of conducting channel on the reference planes b-c. theoretical investigation of natural semiconductors is helpful for designing higher performance electronic materials used in biochemical and industrial field to replace expensive and rare organic materials.
WOS标题词	science & technology ; physical sciences
类目[WOS]	physics, atomic, molecular & chemical
研究领域[WOS]	physics
关键词[WOS]	field-effect mobility ; electron-transfer ; heterocyclic oligomers ; hopping transport ; single-crystals ; hole mobilities ; solar-cells ; pentacene ; energy ; polarization
收录类别	SCI
语种	英语
WOS记录号	WOS:000349441400011
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/145993]
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.Anhui Polytech Univ, Dept Biochem Engn, Wuhu, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian, Peoples R China
推荐引用方式 GB/T 7714	Hou, Chunyuan,Chen, Xin. Anisotropic charge transport in flavonoids as organic semiconductors[J]. molecular physics,2015,113(5):521-528.
APA	Hou, Chunyuan,&Chen, Xin.(2015).Anisotropic charge transport in flavonoids as organic semiconductors.molecular physics,113(5),521-528.
MLA	Hou, Chunyuan,et al."Anisotropic charge transport in flavonoids as organic semiconductors".molecular physics 113.5(2015):521-528.