Orientation-dependent mechanical response of graphene/BN hybrid nanostructures.

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Title: Orientation-dependent mechanical response of graphene/BN hybrid nanostructures.
Authors: Patra, Lokanath (AUTHOR), Mallick, Govind (AUTHOR) govinda.mallick.civ@mail.mil, Sachdeva, Geeta (AUTHOR), Shock, Cameron (AUTHOR), Pandey, Ravindra (AUTHOR) pandey@mtu.edu
Source: Nanotechnology. 6/4/2021, Vol. 32 Issue 23, p1-8. 8p.
Subjects: Graphene, Nanoindentation, Graphene synthesis, Molecular dynamics, Nanostructures
Abstract: Graphene-based hybrid van der Waals structures have emerged as a new class of materials for novel multifunctional applications. In such a vertically-stacked heterostructure, it is expected that its mechanical strength can be tailored by the orientation of the constituent monolayers relative to each other. In this paper, we explore this hypothesis by investigating the orientation dependence of the mechanical properties of graphene/h-BN heterostructures together with that of graphene and h-BN bilayers. The calculated results simulating the pull-out experiment show a noticeable dependence of the (out-of-plane) transverse mechanical response, which is primarily governed by the interlayer strength, on the stacking configurations. The degree of the dependence is directly related to the nature of the interlayer interactions, which change from covalent to covalent polar in going from graphene bilayer to graphene/BN to BN bilayer. In contrast, molecular dynamics simulations mimicking nanoindentation experiments predict that the in-plane mechanical response, which mainly depends on the intra-layer interactions, shows little or no dependence on the stacking-order. The BN monolayer is predicted to fracture before graphene regardless of the stacking pattern or configuration in the graphene/BN heterostructure, affirming the mechanical robustness of graphene. Thus, the graphene-based hybrid structures retain both stiffness and toughness required for a wide range of optoelectromechanical applications. [ABSTRACT FROM AUTHOR]
Copyright of Nanotechnology is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Orientation-dependent mechanical response of graphene/BN hybrid nanostructures.
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  Data: <searchLink fieldCode="AR" term="%22Patra%2C+Lokanath%22">Patra, Lokanath</searchLink> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Mallick%2C+Govind%22">Mallick, Govind</searchLink> (AUTHOR)<i> govinda.mallick.civ@mail.mil</i><br /><searchLink fieldCode="AR" term="%22Sachdeva%2C+Geeta%22">Sachdeva, Geeta</searchLink> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Shock%2C+Cameron%22">Shock, Cameron</searchLink> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Pandey%2C+Ravindra%22">Pandey, Ravindra</searchLink> (AUTHOR)<i> pandey@mtu.edu</i>
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  Data: <searchLink fieldCode="JN" term="%22Nanotechnology%22">Nanotechnology</searchLink>. 6/4/2021, Vol. 32 Issue 23, p1-8. 8p.
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  Data: <searchLink fieldCode="DE" term="%22Graphene%22">Graphene</searchLink><br /><searchLink fieldCode="DE" term="%22Nanoindentation%22">Nanoindentation</searchLink><br /><searchLink fieldCode="DE" term="%22Graphene+synthesis%22">Graphene synthesis</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Nanostructures%22">Nanostructures</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Graphene-based hybrid van der Waals structures have emerged as a new class of materials for novel multifunctional applications. In such a vertically-stacked heterostructure, it is expected that its mechanical strength can be tailored by the orientation of the constituent monolayers relative to each other. In this paper, we explore this hypothesis by investigating the orientation dependence of the mechanical properties of graphene/h-BN heterostructures together with that of graphene and h-BN bilayers. The calculated results simulating the pull-out experiment show a noticeable dependence of the (out-of-plane) transverse mechanical response, which is primarily governed by the interlayer strength, on the stacking configurations. The degree of the dependence is directly related to the nature of the interlayer interactions, which change from covalent to covalent polar in going from graphene bilayer to graphene/BN to BN bilayer. In contrast, molecular dynamics simulations mimicking nanoindentation experiments predict that the in-plane mechanical response, which mainly depends on the intra-layer interactions, shows little or no dependence on the stacking-order. The BN monolayer is predicted to fracture before graphene regardless of the stacking pattern or configuration in the graphene/BN heterostructure, affirming the mechanical robustness of graphene. Thus, the graphene-based hybrid structures retain both stiffness and toughness required for a wide range of optoelectromechanical applications. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Nanotechnology is the property of IOP Publishing and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1088/1361-6528/abe671
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      – Code: eng
        Text: English
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      – SubjectFull: Graphene
        Type: general
      – SubjectFull: Nanoindentation
        Type: general
      – SubjectFull: Graphene synthesis
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Nanostructures
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      – TitleFull: Orientation-dependent mechanical response of graphene/BN hybrid nanostructures.
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            NameFull: Patra, Lokanath
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            NameFull: Mallick, Govind
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            NameFull: Sachdeva, Geeta
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            NameFull: Shock, Cameron
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            NameFull: Pandey, Ravindra
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              M: 06
              Text: 6/4/2021
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              Y: 2021
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