Related papers: Graphene-mediated exchange coupling between cobalt…
In this paper, we study the morphologic interaction between graphene and Si nanowires on a SiO2 substrate, using molecular mechanics simulations. Two cases are considered: 1) a graphene nanoribbon intercalated by a single Si nanowire on a…
We calculate the electronic band dispersion of graphene monolayer on a two dimensional transition metal dichalcogenide substrate (GTMD) (viz., XY2 , X = Mo, W; Y = S, Se) around K and K prime points taking into account the interplay of the…
We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…
This work introduces a new class of two-dimensional crystals with the structure AC$_8$XC$_8$, consisting of two layers of graphene, a chalcogen (X = O, S, Se, Te) intercalation layer, and an alkaline earth (A = Be, Ca, Mg, Sr, Ba) adlayer.…
We provide a theoretical model that describes the dielectric coupling of a 2D layer of graphene, represented by a polarization function in the Random Phase Approximation, and a semi-infinite 3D substrate, represented by a surface response…
We study the low-energy electronic structure of heterostructures formed by one sheet of graphene placed on a monolayer of ${\rm NbSe_2}$. We build a continuous low-energy effective model that takes into account the presence of a twist angle…
Ultralow dimensionality of 2D layers magnifies their sensitivity to adjacent charges enabling even postprocessing electric control of multifunctional structures. However, functionalizing 2D layers remains an important challenge for…
The proximity-induced couplings in graphene due to the vicinity of a ferromagnetic insulator are analyzed. We combine general symmetry principles and simple tight-binding descriptions to consider different orientations of the magnetization.…
We have investigated theoretically the adsorption of molecules onto graphene with divacancy defects. Using ab-initio density functional calculations, we have found that O2, CO, N2, B2 and H2O molecules all interact strongly with a divacancy…
Graphene has recently attracted a great deal of interest in both academia and industry because of its unique electronic and optical properties [1,2], as well as its chemical, thermal, and mechanical properties. The superb characteristics of…
It is generally accepted that the hydrophilic property of graphene can be affected by the underlying substrate. However, the role of intrinsic vs. substrate contributions and the related mechanisms are vividly debated. Here we show that the…
Nanographenes with zigzag edges are predicted to manifest non-trivial pi-magnetism resulting from the interplay of hybridization of localized frontier states and Coulomb repulsion between valence electrons. This provides a chemically…
Graphene grown on metal surface, Cu(111), with a boron nitride(BN) buffer layer is studied for the first time. Our first-principles calculations reveal that charge is transferred from the copper substrate to graphene through the BN buffer…
Using first-principles calculations based on density functional theory and non-equilibrium Green's functions, we characterized the effect of surface termination on the electronic transport properties of nanoscale Cu slabs. With ideal, clean…
The effect of Mn intercalation on the atomic, electronic and magnetic structure of the graphene/Cu(111) interface is studied using state-of-the-art density functional theory calculations. Different structural models of the…
We analyze the electrostatic interactions between a single graphene layer and a SiO$_2$ susbtrate, and other materials which may exist in its environment. We obtain that the leading effects arise from the polar modes at the SiO$_2$ surface,…
Two magnetic impurities on the edge of a zigzag graphene nanoribbon strongly interact with each other via indirect coupling, which can be mediated by conducting carriers. By means of Quantum Monte Carlo (QMC) simulations, we find that the…
A single graphene layer placed between two parallel Ni(111) surfaces screens the strong attractive force and results in a significant reduction of adhesion and sliding friction. When two graphene layers are inserted, each graphene is…
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and graphite have been studied by x-ray magnetic circular dichroism and charge transfer multiplet theory. A delicate interplay between long-range interactions and local…
I present a review of both experimental and theoretical studies performed during the recent three years, which deal with the physical properties and possible applications of graphene placed on ferroelectric (organic or Pb(ZrxTi1-x)O3 (PZT)…