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Carbon-based nanostructures and graphene, in particular, evoke a lot of interest as new promising materials for nanoelectronics and spintronics. One of the most important issue in this context is the impact of external electrodes on…

In this article, we combine the modified electrostatics of a one-dimensional transistor structure with a quantum kinetic formulation of Coulomb interaction and nonequilibrium transport. A multi-configurational self-consistent Green's…

We examine the magnetic correlations in quantum spin models that were derived recently as effective low-energy theories for electronic correlation effects on the edge states of graphene nanoribbons. For this purpose, we employ quantum Monte…

Unimolecular current rectifiers are fundamental building blocks in organic electronics. Rectifying behavior has been identified in numerous organic systems due to electron-hole asymmetries of orbital levels interfaced by a metal electrode.…

Exercising direct control over the unusual electronic structures arising from quantum confinement effects in graphene nanoribbons (GNRs) - atomically defined quasi one-dimensional (1D) strips of graphene - is intimately linked to geometric…

Graphene nanoribbons (GNRs) have attracted a strong interest from researchers worldwide, as they constitute an emerging class of quantum-designed materials. The major challenges towards their exploitation in electronic applications include…

We propose a superconducting phase-controlled thermal switch based on a four-terminal graphene-superconductor system. By the coupling of two superconducting leads on a zigzag graphene nanoribbon, both the normal-transmission coefficient and…

It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons.…

We combine {\em ab initio} density functional theory (DFT) structural studies with DFT-based nonequilibrium Green function calculations to investigate how the presence of non-hexagonal rings affects electronic transport in graphitic…

We demonstrate that hexagonal graphene nanoflakes with zigzag edges display quantum interference (QI) patterns analogous to benzene molecular junctions. In contrast with graphene sheets, these nanoflakes also host magnetism. The cooperative…

Here we investigate high frequency AC transport through narrow graphene nanoribbons with topgate potentials that form a localized quantum dot. We show that as a consequence of the finite dwell time of an electron inside the quantum dot…

Using ab initio density functional theory and quantum transport calculations based on nonequilibrium Green's function formalism we study structural, electronic, and transport properties of hydrogen-terminated short graphene nanoribbons…

Adiabatic quantum charge pumping in graphene nanoribbon double barrier structures with armchair and zigzag edges in the resonant transmission regime is analyzed. Using recursive Green's function method we numerically calculate the pumped…

We present a microscopic theory for interacting graphene armchair nanoribbon quantum dots. Long range interaction processes are responsible for Coulomb blockade and spin-charge separation. Short range ones, arising from the underlying…

The integration of graphene with complex-oxide heterostructures such as LaAlO$_3$/SrTiO$_3$ offers the opportunity to combine the multifunctional properties of an oxide interface with the electronic properties of graphene. The ability to…

We present an approach for time-dependent quantum transport based on a self-consistent non-equilibrium Green function formalism. The technique is applied to a ballistic carbon nanotube transistor in the presence of a time harmonic signal at…

The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a…

The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green's function method combined with the density functional theory. The symmetry of the…

Zigzag phosphorene nanoribbons are metallic owing to the edge states, whose energies are inside the gap and far from the bulk bands. We show that -- through electrical manipulation of edge states -- electron propagation can be restricted to…

We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…