XII International Symposium ''Optics and Biophotonics'' (Saratov Fall Meeting 2024), Saratov, September 23-27, 2024
Physics of nanostructures

Influence of metric parameters on the electrical conductivity properties of thin films of perforated graphene functionalized with carboxyl groups

P. V. Barkov^a, M. M. Slepchenkov^a, O. E. Glukhova<sup>ab

a</sup> Saratov State University
^b I. M. Sechenov First Moscow State Medical University

Abstract: Using the density functional theory based tight binding method, we have in silico studied of the electrical conductivity properties of thin films of holey graphene with almost circular holes with a diameter of 1.2 nm and a neck width of 0.7 – 2 nm. Patterns in the change of the electrical conductivity of the investigated films with increasing neck width in different directions of the hexagonal graphene lattice were identified. It was found that when the neck width was altered in the zigzag direction, the electrical conductivity changed abruptly in steps of three, while in the armchair direction it increased nearly linearly. To explain the observed patterns, the characteristics of quantum electron transport in the studied films at various neck widths were analyzed.

Keywords: electrical conductivity, density functional theory based tight binding method, neck width, electron transmission function.

Received: 26.12.2024
Revised: 26.12.2024
Accepted: 26.12.2024

DOI: 10.61011/JTF.2025.05.60286.464-24

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