DICP OpenIR
Subject Area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)
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
2011-03-17
ISSN1520-6106
DOI10.1021/jp108125q
Volume115Issue:10Pages:2140-2147
Indexed BySCI
SubtypeArticle
Department11
Funding Project1101;11T4
Contribution Rank1,1
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordFIELD-EFFECT TRANSISTORS ; CHARGE-TRANSPORT ; ORGANIC SEMICONDUCTORS ; HOPPING TRANSPORT ; HETEROCYCLIC OLIGOMERS ; OLIGOTHIOPHENE FILMS ; THIOPHENE ; ENERGY ; OLIGO(THIENYLFURAN)S ; SPECTROSCOPY
AbstractSimulation 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.
Language英语
WOS IDWOS:000288113300002
Citation statistics
Cited Times:77[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/115253
Collection中国科学院大连化学物理研究所
Corresponding AuthorHan KL(韩克利)
Affiliation1.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
Recommended Citation
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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