Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2

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	Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2
	Zhou, S
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2013
卷号	117 期号:29 页码:15347-15353
关键词	TOTAL-ENERGY CALCULATIONS LITHIUM ION BATTERIES WAVE BASIS-SET BAND-GAP ELECTROCHEMICAL PERFORMANCES MAGNETIC-PROPERTIES BILAYER GRAPHENE STATE
ISSN号	1932-7447
通讯作者	Zhu, ZZ (reprint author), Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China.
英文摘要	Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superlattice have been studied by using density functional theory. The possible stacking models, which are classified into four types, are considered. Our results revealed that all the models of graphene/MoS2 superlattices exhibit metallic electronic properties. Small band gaps are opened up at the K-point of the Brillouin zone for all the four structural models. Furthermore, a small amount of charge transfer from the graphene layer to the intermediate region of C-S layers is found. The band structure and the charge transfer together with the buckling distortion of the graphene layer in the superlattice indicate that the interaction between the stacking sheets in the superlattice is more than just the van der Waals interaction.
学科主题	Physics
收录类别	SCI
资助信息	National 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11004165, 21233004]
原文出处	http://dx.doi.org/10.1021/jp404080z
语种	英语
WOS记录号	WOS:000322503600054
公开日期	2014-04-25
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/15317]
专题	理论物理研究所_理论物理所1978-2010年知识产出
推荐引用方式 GB/T 7714	Zhou, S. Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(29):15347-15353.
APA	Zhou, S.(2013).Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2.JOURNAL OF PHYSICAL CHEMISTRY C,117(29),15347-15353.
MLA	Zhou, S."Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2".JOURNAL OF PHYSICAL CHEMISTRY C 117.29(2013):15347-15353.