Current flow patterns in graphene nanomesh films functionalized with carbonyl and carboxyl groups

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.