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

Published online by Cambridge University Press:  01 March 2018

Y. M. Jaques ,
P. Manimunda ,
Y. Nakanishi ,
S. Susarla ,
C. F. Woellner ,
S. Bhowmick ,
S. A. S. Asif ,
D. S. Galvão ,
C. S. Tiwary  and
P. M. Ajayan
Y. M. Jaques*
Affiliation:
Applied Physics Department, University of Campinas, 13083-859Campinas-SP, Brazil Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA Center for Computational Engineering & Sciences, University of Campinas, Campinas-SP, Brazil
P. Manimunda
Affiliation:
Bruker Nano Surfaces, Minneapolis, MN, USA
Y. Nakanishi
Affiliation:
Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA
S. Susarla
Affiliation:
Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA
C. F. Woellner
Affiliation:
Applied Physics Department, University of Campinas, 13083-859Campinas-SP, Brazil Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA Center for Computational Engineering & Sciences, University of Campinas, Campinas-SP, Brazil
S. Bhowmick
Affiliation:
Bruker Nano Surfaces, Minneapolis, MN, USA
S. A. S. Asif
Affiliation:
Bruker Nano Surfaces, Minneapolis, MN, USA
D. S. Galvão
Affiliation:
Applied Physics Department, University of Campinas, 13083-859Campinas-SP, Brazil Center for Computational Engineering & Sciences, University of Campinas, Campinas-SP, Brazil
C. S. Tiwary
Affiliation:
Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA
P. M. Ajayan
Affiliation:
Materials Science and Nanoengineering, Rice University, Houston, Texas77005, USA
*
*(Email: ymjaques@gmail.com)
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Abstract

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.

Keywords

layeredsimulationnanoscale
Type
Articles
Information
MRS Advances , Volume 3 , Issue 6-7: Nanomaterials , 2018 , pp. 373 - 378
Copyright
Copyright © Materials Research Society 2018 

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