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Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical, electrical and optical properties. For the first time graphene layers suspended on copper meshes were installed into a gas detector…

Allotropes of carbon, including one-dimensional carbon nanotubes and two-dimensional graphene sheets, continue to draw attention as promising platforms for probing the physics of electrons in lower dimensions. Recent research has shown that…

We consider the orbital magnetic properties of non-interacting charge carriers in graphene-based nanostructures in the low-energy regime. The magnetic response of such systems results both, frombulk contributions and from confinement…

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…

Density functional theory (DFT) modeling of the physisorption of four different types of molecules (toluene, bromine dimmer, water and nitrogen dioxide) over and above graphene ripples has been performed. For all types of molecules changes…

The correlation of odd electrons in graphene turns out to be significant so that the species should be attributed to correlated ones. This finding profoundly influences the computational strategy addressing it to multireference…

The present manuscript summarizes the modern view on the problem of the graphene-metal interaction. Presently, the close-packed surfaces of d metals are used as templates for the preparation of highly-ordered graphene layers. Different…

Using first-principles calculations we demonstrate sizable exchange coupling between a magnetic molecule and a magnetic substrate via a graphene layer. As a model system we consider cobaltocene (CoCp$_2$) adsorbed on graphene deposited on…

A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…

We study the behavior of charge carriers in graphene in inhomogeneous perpendicular magnetic fields. We consider two types of one-dimensional magnetic profiles, uniform in one direction: a sequence of N magnetic barriers, and a sequence of…

Rare-earth (RE) atoms on top of 2D materials represent an interesting platform with the prospect of tailoring the magnetic anisotropy for practical applications. Here, we investigate the ground state and magnetic properties of selected…

The high carrier mobility in graphene promises its utility in electronics applications. Azobenzene is a widely studied organic molecule for switchable optoelectronic devices that can be synthesized with a wide variety of ligands and…

Electronic excitations in a graphitic monolayer (graphene) in the long-wavelength approximation are characterized by the linear dispersion law, representing a unique example of the really two-dimensional "ultrarelativistic" fermionic system…

Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and…

Bond stretching and angle bending force fields, appropriate to describe in-plane motion of graphene sheets, are derived using first principles' methods. The obtained force fields are fitted by analytical anharmonic energy potential…

Magnetic confinement in graphene has been of recent and growing interest because its potential applications in nanotechnology. In particular, the observation of the so called magnetic edge states in graphene has opened the possibility to…

In this paper, we study the near-field radiative energy, linear-momentum, and angular-momentum transfer from a current-biased graphene to nanoparticles. The electric current through the graphene sheet induces nonequilibrium fluctuations,…

We show theoretically that in the external magnetic field like charges on top of graphene monolayer may be mutually attracted to form macro-molecules. For this to happen graphene needs to be in Quantum Hall plateau state with local chemical…

Edge effects play an important role for many properties of graphene. While most works have focused on the effects from isolated free edges, we present a novel knotting phenomenon induced by the interactions between a pair of free edges in…

We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin…