Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional pi-Stacking and Hydrogen Bonding

	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
刊名	chemsuschem
	2012
卷号	5 期号:5 页码:879-887
关键词	electron transfer hydrogen bonds mobility polymers semiconductors
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.
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000303854800009
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/143120]
专题	大连化学物理研究所_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
推荐引用方式 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.