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学科主题物理化学
Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors
Zhang, Xiao-Yu; Zhao, Guang-Jiu; Zhao GJ(赵广久)
刊名JOURNAL OF PHYSICAL CHEMISTRY C
2012-07-05
DOI10.1021/jp303235x
116期:26页:13858-13864
收录类别SCI
文章类型Article
部门归属11
项目归属1101
产权排名1,1
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science
关键词[WOS]FIELD-EFFECT TRANSISTORS ; THIN-FILM TRANSISTORS ; HETEROJUNCTION SOLAR-CELLS ; SINGLE-CRYSTAL ; HIGH-PERFORMANCE ; ELECTRONEGATIVE OLIGOTHIOPHENES ; HETEROCYCLIC OLIGOMERS ; AMBIPOLAR TRANSPORT ; CONJUGATED POLYMERS ; MOLECULAR MATERIALS
英文摘要In this work, we theoretically investigated the charge-transport properties in bisindenoanthrazoline-based n-type organic semiconductors at the first-principle DFT level based on the Marcus-Hush theory. The relationship between molecular packing and charge transport for DADF and DADK, which are of different geometries as a novel n-type bisindenoanthrazilines (BIDAs) organic semiconductor, was presented. We theoretically demonstrated that DADK single crystal possesses considerable electron-transfer mobility, which is about three times larger than that of DADF. The predicted maximum electron mobility value of DADK is 0.373 cm(2) V-1 s(-1), which appears at the orientation angle near 72 degrees/252 degrees of conducting channel on the reference planes a-c. In addition, the angle dependence of mobility in all two crystals shows remarkable anisotropic behavior. The calculated results indicate that DADK may be an ideal candidate as a high-performance n-type organic semiconductor material. We also demonstrated that the molecular geometry of organic semiconductor plays an important role in determining the molecular stacking, electronic properties, and charge-transport behaviors. Theoretical investigation of organic semiconductors is helpful for evaluating the charge-transport behaviors to realize better charge-transfer efficiency and design higher performance electronic materials.
语种英语
WOS记录号WOS:000305933900004
引用统计
被引频次:37[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/118090
专题中国科学院大连化学物理研究所
通讯作者Zhao GJ(赵广久)
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, Xiao-Yu,Zhao, Guang-Jiu,Zhao GJ. Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2012,116(26):13858-13864.
APA Zhang, Xiao-Yu,Zhao, Guang-Jiu,&赵广久.(2012).Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors.JOURNAL OF PHYSICAL CHEMISTRY C,116(26),13858-13864.
MLA Zhang, Xiao-Yu,et al."Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors".JOURNAL OF PHYSICAL CHEMISTRY C 116.26(2012):13858-13864.
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