Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals

doi:10.1021/jp502411u

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	Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals
	Zhu, Lingyun 1,2,3; Yi, Yuanping 1,2,4; Fonari, Alexandr 1,2; Corbin, Nathan S.1,2; Coropceanu, Veaceslav 1,2; Bredas, Jean-Luc 1,2
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2014-07-03
卷号	118 期号:26 页码:14150-14156
ISSN号	1932-7447
DOI	10.1021/jp502411u
英文摘要	The electronic structures of a series of donor acceptor mixed-stack crystals have been investigated by means of density functional theory calculations. The results highlight that a number of the donor acceptor crystals under consideration are characterized by wide valence and conduction bands, large hole and electron electronic couplings, and as a result very low hole and electron effective masses. The fact that the effective masses and electronic couplings for holes and electrons are nearly equal along the stacking directions implies that the hole and electron mobilities in these systems are also similar. In addition, in several of these crystals, charge transport has a two-dimensional character. The impact on the charge transport properties of the electronic couplings between donor and acceptor frontier orbitals and of the related energy gaps is also discussed.
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000338693600010
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/53185]
专题	中国科学院化学研究所
通讯作者	Coropceanu, Veaceslav
作者单位	1.Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA 2.Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA 3.Natl Ctr Nanosci & Technol, Beijing 100190, Peoples R China 4.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Zhu, Lingyun,Yi, Yuanping,Fonari, Alexandr,et al. Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(26):14150-14156.
APA	Zhu, Lingyun,Yi, Yuanping,Fonari, Alexandr,Corbin, Nathan S.,Coropceanu, Veaceslav,&Bredas, Jean-Luc.(2014).Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals.JOURNAL OF PHYSICAL CHEMISTRY C,118(26),14150-14156.
MLA	Zhu, Lingyun,et al."Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals".JOURNAL OF PHYSICAL CHEMISTRY C 118.26(2014):14150-14156.