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Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study

Using the self-consistent charge density functional tight-binding (SCC-DFTB) method, we study the behavior of graphene-carbon nanotube hybrid films with island topology under axial deformation. Hybrid films are formed by AB-stacked bilayer graphene and horizontally aligned chiral single-walled carbo...

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Autores principales: Slepchenkov, Michael M., Barkov, Pavel V., Glukhova, Olga E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10055826/
https://www.ncbi.nlm.nih.gov/pubmed/36985078
http://dx.doi.org/10.3390/mi14030671
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author Slepchenkov, Michael M.
Barkov, Pavel V.
Glukhova, Olga E.
author_facet Slepchenkov, Michael M.
Barkov, Pavel V.
Glukhova, Olga E.
author_sort Slepchenkov, Michael M.
collection PubMed
description Using the self-consistent charge density functional tight-binding (SCC-DFTB) method, we study the behavior of graphene-carbon nanotube hybrid films with island topology under axial deformation. Hybrid films are formed by AB-stacked bilayer graphene and horizontally aligned chiral single-walled carbon nanotubes (SWCNTs) with chirality indices (12,6) and 1.2 nm in diameter. In hybrid films, bilayer graphene is located above the nanotube, forming the so-called “islands” of increased carbon density, which correspond to known experimental data on the synthesis of graphene-nanotube composites. Two types of axial deformation are considered: stretching and compression. It has been established that bilayer graphene-SWCNT (12,6) hybrid films are characterized by elastic deformation both in the case of axial stretching and axial compression. At the same time, the resistance of the atomic network of bilayer graphene-SWCNT (12,6) hybrid films to failure is higher in the case of axial compression. Within the framework of the Landauer-Buttiker formalism, the current-voltage characteristics of bilayer graphene-SWCNT (12,6) hybrid films are calculated. It is shown that the slope of the current-voltage characteristic and the maximum values of the current are sensitive to the topological features of the bilayer graphene in the composition of graphene-SWCNT (12,6) hybrid film. Based on the obtained results, the prospects for the use of island-type graphene-nanotube films in flexible and stretchable electronic devices are predicted.
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spelling pubmed-100558262023-03-30 Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study Slepchenkov, Michael M. Barkov, Pavel V. Glukhova, Olga E. Micromachines (Basel) Article Using the self-consistent charge density functional tight-binding (SCC-DFTB) method, we study the behavior of graphene-carbon nanotube hybrid films with island topology under axial deformation. Hybrid films are formed by AB-stacked bilayer graphene and horizontally aligned chiral single-walled carbon nanotubes (SWCNTs) with chirality indices (12,6) and 1.2 nm in diameter. In hybrid films, bilayer graphene is located above the nanotube, forming the so-called “islands” of increased carbon density, which correspond to known experimental data on the synthesis of graphene-nanotube composites. Two types of axial deformation are considered: stretching and compression. It has been established that bilayer graphene-SWCNT (12,6) hybrid films are characterized by elastic deformation both in the case of axial stretching and axial compression. At the same time, the resistance of the atomic network of bilayer graphene-SWCNT (12,6) hybrid films to failure is higher in the case of axial compression. Within the framework of the Landauer-Buttiker formalism, the current-voltage characteristics of bilayer graphene-SWCNT (12,6) hybrid films are calculated. It is shown that the slope of the current-voltage characteristic and the maximum values of the current are sensitive to the topological features of the bilayer graphene in the composition of graphene-SWCNT (12,6) hybrid film. Based on the obtained results, the prospects for the use of island-type graphene-nanotube films in flexible and stretchable electronic devices are predicted. MDPI 2023-03-17 /pmc/articles/PMC10055826/ /pubmed/36985078 http://dx.doi.org/10.3390/mi14030671 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Slepchenkov, Michael M.
Barkov, Pavel V.
Glukhova, Olga E.
Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title_full Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title_fullStr Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title_full_unstemmed Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title_short Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study
title_sort island-type graphene-nanotube hybrid structures for flexible and stretchable electronics: in silico study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10055826/
https://www.ncbi.nlm.nih.gov/pubmed/36985078
http://dx.doi.org/10.3390/mi14030671
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