Graphene-Nanotube Composite with an Island Structure for flexible stretchable electronics: Ab Initio Study
Michael M. Slepchenkov, Olga E. Glukhova, Pavel V. Barkov, Saratov State University, Saratov, Russia
Abstract
In this paper, using ab initio methods, we predict the possibility of using a graphene-nanotube composite with an island structure as an electrically conductive and mechanically strong filler of polymer matrices. We consider several topological models of composite carbon structures formed by AB-stacked bilayer graphene and horizontally oriented single-walled carbon nanotubes (SWCNTs) with chirality indices (12,6). The models differ in the width of the graphene layer in the supercell and in the shift of the graphene layers. The SCC DFTB method is used to study the effect of axial tension and compression deformation on the electrically conductive characteristics of the graphene/SWCNT (12,6) composite. The strength limits of the studied composite structures in tension and compression have been established. It is revealed how the electrical conductivity and electrical resistance of a composite material changes under the action of a mechanical load.
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Michael M. Slepchenkov
Saratov State University
Russia
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Discussion
Pavel
Was the mobility of carriers in the structures under study assessed in this study?
Michael M. Slepchenkov
No, the mobility of carriers in the studied structures was not evaluated.
Vadim
How did you evaluate the energy stability of the studied structures?
Michael M. Slepchenkov
The energy stability was evalued as difference between energy of island
graphene-nanotube structures and energy on individual graphene and
nanotubes.
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