Mechanical peeling of van der Waals heterostructures: Theory and simulations

doi:10.1016/j.eml.2019.100501

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	Mechanical peeling of van der Waals heterostructures: Theory and simulations
	Lin H(林慧); Zhao YP(赵亚溥)
通讯作者	Zhao, Ya-Pu([email protected])
发表期刊	EXTREME MECHANICS LETTERS
	2019-07-01
卷号	30 页码:11
ISSN	2352-4316
摘要	Mechanical peeling is crucial for the assembly process of van der Waals (vdW) heterostructures. We provide a new theory to describe the peeling of vdW heterostructures based on interatomic potential. Representatively, we present the peeling of graphene on molybdenum disulfide (MoS2) using a bottom-up approach. The results show that there are three stages (the initial, stable and jump out of contact stages) in the entire peeling process. We find that the traditional continuum model is only suitable for the stable stage, while our theory can describe the entire process from (the initial unstable) contact to the end of the stable stage. In addition, we discovered a new characteristic length, the elasto-peeling length L-ep = root 2D/Delta gamma = 4 sigma(0)root 2 pi D/H, that is a crucial parameter that reflects the bending (D) and interfacial properties (Delta gamma) of the layered materials during peeling. Finally, the theory as expressed by the Hamaker constant (H) is presented. Our findings may help to reveal the underlying mechanisms in the peeling of layered materials at the atomic scale. (C) 2019 Elsevier Ltd. All rights reserved.
关键词	van der Waals heterostructures Mechanical peeling Density functional theory Molecular dynamics simulation Elasto-peeling length
DOI	10.1016/j.eml.2019.100501
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000477989000006
关键词[WOS]	TOTAL-ENERGY CALCULATIONS ; BORON-NITRIDE ; GRAPHENE ; MOS2 ; MONOLAYER ; ADHESION ; GROWTH ; LAYER
WOS研究方向	Engineering ; Materials Science ; Mechanics
WOS类目	Engineering, Mechanical ; Materials Science, Multidisciplinary ; Mechanics
资助项目	National Natural Science Foundation of China (NSFC)[51861145314] ; National Natural Science Foundation of China (NSFC)[11872363] ; Chinese Academy of Sciences (CAS) through CAS Interdisciplinary Innovation Team Project ; Chinese Academy of Sciences (CAS) through CAS Key Research Program of Frontier Sciences[QYZDJ-SSW-JSC019] ; Chinese Academy of Sciences (CAS) through CAS Strategic Priority Research Program[XDB22040401]
项目资助者	National Natural Science Foundation of China (NSFC) ; Chinese Academy of Sciences (CAS) through CAS Interdisciplinary Innovation Team Project ; Chinese Academy of Sciences (CAS) through CAS Key Research Program of Frontier Sciences ; Chinese Academy of Sciences (CAS) through CAS Strategic Priority Research Program
论文分区	一类
力学所作者排名	1
RpAuthor	Zhao, Ya-Pu
引用统计	被引频次：31[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/79497
专题	非线性力学国家重点实验室
推荐引用方式 GB/T 7714	Lin H,Zhao YP. Mechanical peeling of van der Waals heterostructures: Theory and simulations[J]. EXTREME MECHANICS LETTERS,2019,30:11.Rp_Au:Zhao, Ya-Pu
APA	林慧,&赵亚溥.(2019).Mechanical peeling of van der Waals heterostructures: Theory and simulations.EXTREME MECHANICS LETTERS,30,11.
MLA	林慧,et al."Mechanical peeling of van der Waals heterostructures: Theory and simulations".EXTREME MECHANICS LETTERS 30(2019):11.

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