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题名: Anisotropic charge transport in flavonoids as organic semiconductors
作者: Hou, Chunyuan1, 2;  Chen, Xin1
关键词: organic semiconductor ;  charge transport ;  anisotropic ;  flavonoid
刊名: MOLECULAR PHYSICS
发表日期: 2015-03-04
DOI: 10.1080/00268976.2014.955542
卷: 113, 期:5, 页:521-528
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
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.
关键词[WOS]: FIELD-EFFECT MOBILITY ;  ELECTRON-TRANSFER ;  HETEROCYCLIC OLIGOMERS ;  HOPPING TRANSPORT ;  SINGLE-CRYSTALS ;  HOLE MOBILITIES ;  SOLAR-CELLS ;  PENTACENE ;  ENERGY ;  POLARIZATION
语种: 英语
WOS记录号: WOS:000349441400011
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145993
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
Hou, Chunyuan,Chen, Xin. Anisotropic charge transport in flavonoids as organic semiconductors[J]. MOLECULAR PHYSICS,2015,113(5):521-528.
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