ITP OpenIR  > SCI期刊论文
Li, XD; Wu, SQ; Zhou, S; Zhu, ZZ; Zhu, ZZ (reprint author), Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China.
Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices
Source PublicationNANOSCALE RESEARCH LETTERS
Language英语
KeywordTotal-energy Calculations Lithium Ion Batteries Wave Basis-set Ab-initio Electrochemical Performances Thermal-conductivity Surface-adsorption Band-gap Graphene Mos2
AbstractSuperlattice provides a new approach to enrich the class of materials with novel properties. Here, we report the structural and electronic properties of superlattices made with alternate stacking of two-dimensional hexagonal germanene (or silicene) and a MoS2 monolayer using the first principles approach. The results are compared with those of graphene/MoS2 superlattice. The distortions of the geometry of germanene, silicene, and MoS2 layers due to the formation of the superlattices are all relatively small, resulting from the relatively weak interactions between the stacking layers. Our results show that both the germanene/MoS2 and silicene/MoS2 superlattices are manifestly metallic, with the linear bands around the Dirac points of the pristine germanene and silicene seem to be preserved. However, small band gaps are opened up at the Dirac points for both the superlattices due to the symmetry breaking in the germanene and silicene layers caused by the introduction of the MoS2 sheets. Moreover, charge transfer happened mainly within the germanene (or silicene) and the MoS2 layers (intra-layer transfer), as well as some part of the intermediate regions between the germanene (or silicene) and the MoS2 layers (inter-layer transfer), suggesting more than just the van der Waals interactions between the stacking sheets in the superlattices.
2014
ISSN1556-276X
Volume9Issue:-Pages:110
Subject AreaPhysics
DOI10.1186/1556-276X-9-110
Indexed BySCI
Funding OrganizationNational 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11104229, 21233004] ; National 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11104229, 21233004] ; National 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11104229, 21233004] ; National 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11104229, 21233004]
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Cited Times:47[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15809
CollectionSCI期刊论文
Corresponding AuthorZhu, ZZ (reprint author), Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China.
Recommended Citation
GB/T 7714
Li, XD,Wu, SQ,Zhou, S,et al. Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices[J]. NANOSCALE RESEARCH LETTERS,2014,9(-):110.
APA Li, XD,Wu, SQ,Zhou, S,Zhu, ZZ,&Zhu, ZZ .(2014).Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices.NANOSCALE RESEARCH LETTERS,9(-),110.
MLA Li, XD,et al."Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices".NANOSCALE RESEARCH LETTERS 9.-(2014):110.
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