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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
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2017-11-07
DOI10.1039/c7cp03787b
Volume19Issue:41Pages:28175-28181
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordFIELD-EFFECT TRANSISTORS ; THIN-FILM TRANSISTORS ; ORGANIC SEMICONDUCTORS ; N-TYPE ; ISOMERICALLY PURE ; ELECTRONEGATIVE OLIGOTHIOPHENES ; ELECTRONIC COUPLINGS ; TRANSPORT PROPERTIES ; DYNAMIC DISORDER ; HOLE MOBILITIES
AbstractHerein, 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.
Language英语
WOS IDWOS:000413778800029
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/149788
Collection中国科学院大连化学物理研究所
Affiliation1.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
Recommended Citation
GB/T 7714
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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