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MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
We investigate the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…
Recent fluorescence spectroscopy experiments on single wall carbon nanotubes reveal substantial deviations of observed absorption and emission energies from predictions of noninteracting models of the electronic structure. Nonetheless, the…
The mechanisms of energy and spin transfer in quantum dot pairs coupled via the Coulomb interaction are studied. Exciton transfer can be resonant or phonon-assisted. In both cases, the transfer rates strongly depend on the resonance…
We report semiconducting behavior of monolayer graphene enabled through plasma activation of substrate surfaces. The graphene devices are fabricated by mechanical exfoliation onto pre-processed SiO2/Si substrates. Contrary to pristine…
Graphene holds great potential for superconductivity due to its pure two-dimensional nature, the ability to tune its carrier density through electrostatic gating, and its unique, relativistic-like electronic properties. At present, we are…
Graphene is a material of great potential in a broad range of applications, for each of which specific tuning of the materials properties is required. This can be achieved, for example, by covalent functionalization. We have exploited two…
Here we present graphene-based nanoelectromechanical switch with the vertical carbon nanotube electrode via classical molecular dynamics simulations. The carbon nanotube is grown in the center of the square hole and the graphene covers on…
The induced-proximity effects of nearly commensurate lattice structure of a graphene layer on Ni(111) and Co(0001) substrates in the AC stacking configuration are addressed through an analytical tight-binding approach within the…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
The combination of graphene with silicon in hybrid devices has attracted attention extensively over the last decade. Most of such devices were proposed for photonics and radiofrequency applications. In this work, we present a unique…
Future multi-functional hybrid devices might combine switchable molecules and 2D material-based devices. Spin-crossover compounds are of particular interest in this context since they exhibit bistability and memory effects at room…
Coupled surface plasmon/phonon polaritons and hyperbolic modes are known to enhance radiative transport across nanometer vacuum gaps but usually require identical materials. It becomes crucial to achieve strong near-field energy transfer…
The electronic properties of graphene can be modified by the local interaction with a selected metal substrate. To probe this effect, Scanning Tunneling Microscopy is widely employed, particularly by means of local measurement via lock-in…
We study the radiative heat transfer between multilayer structures made by a periodic repetition of a graphene sheet and a hexagonal boron nitride (hBN) slab. Surface plasmons in a monolayer graphene can couple with a hyperbolic phonon…
Nanostructures exhibit unusual properties due to the dominance of quantum mechanical effects. In addition, the geometry of a nanostructure can have a strong influence on its physical properties. Using the tight-binding (TB) and…
Monolayer graphene with an energy gap presents a pseudospin symmetry broken ferromagnet with a perpendicular pseudomagnetization whose direction is switched by altering the type of doping between n and p. We demonstrate an electrical…
Interactions among charge carriers in graphene can lead to the spontaneous breaking of multiple degeneracies. When increasing the number of graphene layers following rhombohedral stacking, the dominant role of Coulomb interactions becomes…
Carbon nanomaterials continue to amaze scientists due to their exceptional physical properties. Recently there have been theoretical predictions and first reports on graphene multilayers, where, due to the rotation of the stacked layers,…
Preparing graphene and its derivatives on functional substrates may open enormous opportunities for exploring the intrinsic electronic properties and new functionalities of graphene. However, efforts in replacing SiO$_{2}$ have been greatly…