Mechanical peeling of van der Waals heterostructures: Theory and simulations

doi:10.1016/j.eml.2019.100501

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Mechanical peeling of van der Waals heterostructures: Theory and simulations
	Lin H(林慧); Zhao YP(赵亚溥)
刊名	EXTREME MECHANICS LETTERS
	2019-07-01
卷号	30 页码:11
关键词	van der Waals heterostructures Mechanical peeling Density functional theory Molecular dynamics simulation Elasto-peeling length
ISSN号	2352-4316
DOI	10.1016/j.eml.2019.100501
通讯作者	Zhao, Ya-Pu(yzhao@imech.ac.cn)
英文摘要	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.
分类号	一类
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]
WOS关键词	TOTAL-ENERGY CALCULATIONS ; BORON-NITRIDE ; GRAPHENE ; MOS2 ; MONOLAYER ; ADHESION ; GROWTH ; LAYER
WOS研究方向	Engineering ; Materials Science ; Mechanics
语种	英语
WOS记录号	WOS:000477989000006
资助机构	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
其他责任者	Zhao, Ya-Pu
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/79497]
专题	力学研究所_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.
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.