Employees of the Department of Mathematical Modeling and the Department of Radio Engineering and Electrodynamics of SSU published an article in the journal Micromashines

The article "Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study" by the staff of the Department of Mathematical Modeling and the Department of Radio Engineering and Electrodynamics was published in the journal Micromashines.

Using the method of self-consistent charge density functional density and strong binding (SCC-DFTB), the behavior of hybrid films of graphene-carbon nanotubes with island topology under axial deformation was studied. The hybrid films are formed by bilayer graphene and horizontally oriented chiral single-walled carbon nanotubes (SWCNTs). In hybrid films, two-layer graphene is located above the nanotube, forming the so-called "islands" of increased carbon density, which corresponds to the known experimental data on the synthesis of graphene-nanotube composites. Two types of axial deformation are considered: tension and compression. It has been established that two-layer hybrid graphene-SWCNT films are characterized by elastic deformation under both axial tension and axial compression. At the same time, the fracture resistance of the atomic network of two-layer hybrid graphene-SWCNT films is higher under axial compression. Within the framework of the Landauer-Buttiker formalism, the volt-ampere characteristics of two-layer hybrid graphene-SWCNT films are calculated. It is shown that the CVC slope and the maximum current values are sensitive to the topological features of the two-layer graphene in the composition of the graphene-SWCNT hybrid film. Based on the results obtained, the prospects for the use of island-type graphene-SWCNT films in flexible and extensible electronic devices are predicted.

More details about the results of the study can be found in the journal Micromashines at the link https://www.mdpi.com/2072-666X/14/3/671

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Predictive multiscale modeling in life sciences and sphere of high technologies