2024/09/26 by Barkov, Pavel Valerievich, Slepchenkov, Mikhail Mikhailovich, Glukhova, Olga Evgenievna
#Nano-technology
paper · doi:10.48612/letters/2024-3-210-215
This paper is devoted to studying the influence of functional groups on the electron transport properties in 2D structures of graphene nanomesh (GNM) using the self-consistent-charge density-functional tight-binding (SCC-DFTB) method and Landauer-Buttiker formalism. GNM thin films with almost round holes with a diameter of 1.2 nm are chosen as the object of study. Calculations of the electron-energy and electrical characteristics of GNM are carried out for two types of functional groups: carboxyl (COOH) and carbonyl (C=O). To assess the prospects for using GNM films as a conducting channel in field-effect transistors, current-voltage (I-V) characteristics were calculated in the absence and presence of functional groups. To interpret the obtained results, the patterns of electron transport and electric charge transfer in the “GNM + functional groups” system are identified.