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Mechanical peeling of van der Waals heterostructures: Theory and simulations
Lin H(林慧); Zhao YP(赵亚溥)
Corresponding AuthorZhao, Ya-Pu(yzhao@imech.ac.cn)
Source PublicationEXTREME MECHANICS LETTERS
2019-07-01
Volume30Pages:11
ISSN2352-4316
AbstractMechanical 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.
Keywordvan der Waals heterostructures Mechanical peeling Density functional theory Molecular dynamics simulation Elasto-peeling length
DOI10.1016/j.eml.2019.100501
Indexed BySCI ; EI
Language英语
WOS IDWOS:000477989000006
WOS KeywordTOTAL-ENERGY CALCULATIONS ; BORON-NITRIDE ; GRAPHENE ; MOS2 ; MONOLAYER ; ADHESION ; GROWTH ; LAYER
WOS Research AreaEngineering ; Materials Science ; Mechanics
WOS SubjectEngineering, Mechanical ; Materials Science, Multidisciplinary ; Mechanics
Funding ProjectNational 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]
Funding OrganizationNational 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
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/79498
Collection非线性力学国家重点实验室
Recommended Citation
GB/T 7714
Lin H,Zhao YP. Mechanical peeling of van der Waals heterostructures: Theory and simulations[J]. EXTREME MECHANICS LETTERS,2019,30:11.
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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