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Anisotropic charge transport in flavonoids as organic semiconductors
Hou, Chunyuan1,2; Chen, Xin1
关键词Organic Semiconductor Charge Transport Anisotropic Flavonoid
刊名MOLECULAR PHYSICS
2015-03-04
DOI10.1080/00268976.2014.955542
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
关键词[WOS]FIELD-EFFECT MOBILITY ; ELECTRON-TRANSFER ; HETEROCYCLIC OLIGOMERS ; HOPPING TRANSPORT ; SINGLE-CRYSTALS ; HOLE MOBILITIES ; SOLAR-CELLS ; PENTACENE ; ENERGY ; POLARIZATION
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.
语种英语
WOS记录号WOS:000349441400011
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/145993
专题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
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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.
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