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The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals
Zheng, Daoyuan1,3; Zhang, Mingxing1,2; Zhao, Guangjiu1,2
刊名PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2017-11-07
DOI10.1039/c7cp03787b
19期:41页:28175-28181
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Physics
关键词[WOS]FIELD-EFFECT TRANSISTORS ; THIN-FILM TRANSISTORS ; ORGANIC SEMICONDUCTORS ; N-TYPE ; ISOMERICALLY PURE ; ELECTRONEGATIVE OLIGOTHIOPHENES ; ELECTRONIC COUPLINGS ; TRANSPORT PROPERTIES ; DYNAMIC DISORDER ; HOLE MOBILITIES
英文摘要Herein, the promotion effects of thionation and isomerization on the carrier mobility properties of naphthalene diimide and thionated naphthalene diimide crystals were investigated in detail based on the Marcus-Hush theory and quantum-chemical calculations. The thionation of NDIs will improve the charge mobility of both electrons and holes, which is similar to the thionation of PDIs. The compound P only behaves as an n-type organic semiconductor (OSC), whereas the three other thionation structures have higher mobility values and can behave as p-type OSCs. For the cis/trans isomers of the two double-thionation structures, trans-S2 has a larger hole and electron carrier mobility than cis-S2; this is consistent with the experimental results obtained for cis-trans-isomers. A potential strategy for the development of high performance ambipolar OSCs is the substitution of O atoms by S atoms. These results will provide a guide for the design and optimization of OSCs via analysis of the relationship between carrier mobility and molecular crystal structures.
语种英语
WOS记录号WOS:000413778800029
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/149725
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Tianjin Univ, Sch Sci, Dept Chem, Tianjin Key Lab Mol Optoelect Sci,Inst Chem, Tianjin 300072, Peoples R China
3.Chinese Acad Sci, Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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Zheng, Daoyuan,Zhang, Mingxing,Zhao, Guangjiu. The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(41):28175-28181.
APA Zheng, Daoyuan,Zhang, Mingxing,&Zhao, Guangjiu.(2017).The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(41),28175-28181.
MLA Zheng, Daoyuan,et al."The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.41(2017):28175-28181.
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