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学科主题物理化学
Simulation of Hole Mobility in alpha-Oligofuran Crystals
Huang, Jin-Dou1,2; Wen, Shu-Hao1; Deng, Wei-Qiao1; Han, Ke-Li1; Han KL(韩克利)
刊名JOURNAL OF PHYSICAL CHEMISTRY B
2011-03-17
ISSN1520-6106
DOI10.1021/jp108125q
115期:10页:2140-2147
收录类别SCI
文章类型Article
部门归属11
项目归属1101;11T4
产权排名1,1
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
英文摘要Simulation of Hole Mobility in alpha-Oligofuran Crystals; 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.
语种英语
WOS记录号WOS:000288113300002
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/115253
专题中国科学院大连化学物理研究所
通讯作者Han KL(韩克利)
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,&韩克利.(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.
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