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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
关键词Electron Transfer Hydrogen Bonds Mobility Polymers Semiconductors
刊名CHEMSUSCHEM
2012
DOI10.1002/cssc.201100510
5期:5页:879-887
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]THIN-FILM TRANSISTORS ; FIELD-EFFECT TRANSISTORS ; CHARGE-TRANSPORT PARAMETERS ; HETEROCYCLIC OLIGOMERS ; HIGHLY FLUORESCENT ; HOPPING TRANSPORT ; ELECTRON-TRANSFER ; CHANNEL ; DERIVATIVES ; WATER
英文摘要Perylene 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.
语种英语
WOS记录号WOS:000303854800009
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/143120
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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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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