Article,
Electronic and structural properties of tetragraphenes
CARBON, (2020)
DOI: 10.1016/j.carbon.2020.05.030
Abstract
The search for targeted modifications of graphene to tune its electronic
properties has stimulated the proposal of several new allotropic
variations of carbon with sp and sp(2) hybridizations. In this study, a
class of 2-dimensional carbon nanostructures with mixed sp(2) - sp(3)
hybridization is theoretically investigated. These structures contain
hexagonal and tetragonal cycles and are shown to exhibit metallic or
semiconducting behaviors depending on structural parameters. The key for
the manipulation of the physical properties is the extent of the
system's graphene-like section. Remarkable properties emerge, such as
Dirac cones, which are allowed by the coupling between different sectors
of the system as mediated by tetrahedrally-coordinated carbon atoms. In
addition to fundamental properties, we also point aspects suggesting the
experimental feasibility of these systems. (C) 2020 Elsevier Ltd. All
rights reserved.
