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Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding
Zhang, Ming-Xing; Zhao, Guang-Jiu
KeywordElectron Transfer Hydrogen Bonds Mobility Polymers Semiconductors
Source PublicationCHEMSUSCHEM
2012
DOI10.1002/cssc.201100510
Volume5Issue:5Pages:879-887
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Multidisciplinary
WOS Research AreaChemistry
WOS KeywordTHIN-FILM TRANSISTORS ; FIELD-EFFECT TRANSISTORS ; CHARGE-TRANSPORT PARAMETERS ; HETEROCYCLIC OLIGOMERS ; HIGHLY FLUORESCENT ; HOPPING TRANSPORT ; ELECTRON-TRANSFER ; CHANNEL ; DERIVATIVES ; WATER
AbstractPerylene diimides (PDIs) and their derivatives are active n-type semiconducting materials widely used in organic electronic devices. A series of PDI derivatives have been investigated by quantum chemistry calculations combined with MarcusHush electron-transfer theory. The substitution of three different sites of a PDI induces large changes in its electron-transfer mobility. 2,5,8,11-Tetrachloro-PDI with four chlorine atoms in ortho positions shows both large electron- and hole-transfer mobilities of 0.116 and 0.650 cm2?V-1?s-1, respectively, indicative of a potentially highly efficient ambipolar organic semiconducting material. The calculated electron-transfer mobility of 1,6,7,12-tetrachloro-PDI is 0.081 cm2?V-1?s-1, which is in good agreement with the experimental result. Octachloro-PDIs have the largest electron mobility among these derivatives, although the p system of the central core is twisted. 2D p-stacking and hydrogen bonds formed at the imide positions are responsible for the large mobility. Simulated anisotropic transport mobility curves of these materials prove the magnitude of the mobility that appears when the measuring transistor channel is along the a-axis of the crystal, which is the direction of hydrogen bond formation.
Language英语
WOS IDWOS:000303854800009
Citation statistics
Cited Times:76[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/143120
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Ming-Xing,Zhao, Guang-Jiu. Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding[J]. CHEMSUSCHEM,2012,5(5):879-887.
APA Zhang, Ming-Xing,&Zhao, Guang-Jiu.(2012).Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding.CHEMSUSCHEM,5(5),879-887.
MLA Zhang, Ming-Xing,et al."Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding".CHEMSUSCHEM 5.5(2012):879-887.
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