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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2

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Jaques, Y. M. [1, 2, 3] ; Manimunda, P. [4] ; Nakanishi, Y. [2] ; Susarla, S. [2] ; Woellner, C. F. [1, 2, 3] ; Bhowmick, S. [4] ; Asif, S. A. S. [4] ; Galvao, D. S. [1, 3] ; Tiwary, C. S. [2] ; Ajayan, P. M. [2]
Total Authors: 10
[1] Univ Estadual Campinas, Appl Phys Dept, BR-13083859 Campinas, SP - Brazil
[2] Rice Univ, Mat Sci & Nanoengn, Houston, TX 77005 - USA
[3] Univ Estadual Campinas, Ctr Computat Engn & Sci, Campinas, SP - Brazil
[4] Bruker Nano Surfaces, Minneapolis, MN - USA
Total Affiliations: 4
Document type: Journal article
Source: MRS ADVANCES; v. 3, n. 6-7, p. 373-378, 2018.
Web of Science Citations: 0

Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed understanding of the properties of their few-layer structures are still missing. In this work we investigated the mechanical differences between monolayer and multilayer WSe2 and MoSe2, through fully atomistic molecular dynamics simulations (MD). It was observed that single layer WSe2/MoSe2 deposited on silicon substrates have larger friction coefficients than 2, 3 and 4 layered structures. For all considered cases it is always easier to peel off and/or to fracture MoSe2 structures. These results suggest that the interactions between first layer and substrate are stronger than interlayer interactions themselves. Similar findings have been reported for other nanomaterials and it has been speculated whether this is a universal-like behavior for 2D layered materials. We have also analyzed fracture patterns. Our results show that fracture is chirality dependent with crack propagation preferentially perpendicular to W(Mo)-Se bonds and faster for zig-zag-like defects. (AU)

FAPESP's process: 16/12340-9 - Structural and mechanical properties of carbon-based foams
Grantee:Cristiano Francisco Woellner
Support type: Scholarships abroad - Research Internship - Post-doctor
FAPESP's process: 16/12341-5 - Effect of Contaminants on Wettability Properties of 2D Materials
Grantee:Ygor Morais Jaques
Support type: Scholarships abroad - Research Internship - Doctorate
FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC