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Armchair graphene nanoribbons, when forming a superlattice, can be classified in different topological phases, with or without edge states. By means of tight-binding and classical molecular dynamics (MD) simulations, we studied the…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
The Fermi energies of electrons and holes and their densities in different graphene layers (GLs) in the n- and p-regions of the electrically induced n-i-p junctions formed in multiple-GL structures are calculated both numerically and using…
The interplay of graphene and superconductivity has attracted great interest for understanding the two-dimensional Dirac Fermion physics and for superconducting device applications. In previous work, graphene-superconductor junctions…
We theoretically analyze the possibility to confine electrons in single-layer graphene with the help of metallic gates, via the evaluation of the density of states of such a gate-defined quantum dot in the presence of a ring-shaped metallic…
The interface between a liquid and a solid is the location of plethora of intrincate mechanisms at the nanoscale, at the root of their specific emerging properties in natural processes or technological applications. However, while the…
The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows for the formation of heterojunctions with small chain stress. The combination of the insulation nature of the former and the quasi-metallic…
Voltage is a sensitive quantity to quantum interference in coherent electronic transport. We study the voltage fluctuations in disordered graphene nanoribbons with zigzag and armchair edge terminations in a four-terminal configuration. We…
Motivated by recent experiments [Science {\bf 299}, 1042 (2003)] reporting that carbon nanotubes immersed in a flowing fluid displayed an electric current and voltage, we numerically study the behaviour of a collection of Brownian particles…
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…
Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is parallel to the GNR plane and was generated by an inhomogeneous…
Transport and thermoelectric properties of finite textured graphene nanoribbons (t-GNRs) connected to electrodes with various coupling strengths are theoretically studied in the framework of the tight-binding model and Green's function…
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-junctions. Our analysis shows that functionalization can be…
We propose a model describing the evolution of the free electron current density in graphene. Based on the concept of Mp-branes, we perform the analysis using the difference between curvatures of parallel and antiparallel spins. In such a…
The electronic wavefunctions in moir\'e materials are highly sensitive to the details of the local atomic configuration enabling Bloch band geometry and topology to be controlled by stacking and strain. Here we predict that large injection…
Results of quantum mechanical simulations of the influence of edge disorder on transport in graphene nanoribbon metal oxide semiconductor field-effect transistors (MOSFETs) are reported. The addition of edge disorder significantly reduces…
We study dc and ac transport along armchair graphene nanoribbons using the ${\bf k\cdot p}$ spectrum and eigenfunctions and general linear-response expressions for the conductivities. Then we contrast the results with those for transport…
We study the influence of transverse electric fields on the interfacial forces between a graphene layer and a carbon nanotube tip by means of atomistic simulations, in which a Gaussian regularized charge-dipole potential is combined with…
We study the dynamics of the electron current in nanodevices where there are time-varying components and interactions. These devices are a nanojunction attached to heat baths and with dynamical electron-phonon interactions and a…