Related papers: Stability and magnetism in complex multivacancy gr…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with…
With quantum Monte Carlo methods, we investigate the consequences of placing a magnetic adatom adjacent to a vacancy in a graphene sheet. We find that instead of the adatom properties depending on the energy of the adatom orbital, as in a…
In this paper, a continuum mechanics model of graphene is proposed, and its analytical solution is derived. Graphene is modeled as a doubly-periodic thin elastic plate with a hexagonal cell having a circular hole at the hexagon center.…
Understanding the coupling of graphene with its local environment is critical to be able to integrate it in tomorrow's electronic devices. Here we show how the presence of a metallic substrate affects the properties of an atomically…
Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivity of such defects is essential for successful implementation…
The linear gyrokinetic stability properties of magnetically confined electron-positron plasmas are investigated in the parameter regime most likely to be relevant for the first laboratory experiments involving such plasmas, where the…
Tight-binding calculations predict that the AA-stacked graphene bilayer has one electron and one hole conducting bands, and that the Fermi surfaces of these bands coincide. We demonstrate that as a result of this degeneracy, the bilayer…
This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…
Physical experiments and numerical simulations have revealed a remarkable stabilizing phenomenon: a background magnetic field stabilizes and dampens electrically conducting fluids. This paper provides a rigorous mathematical justification…
Commensurability oscillations in the magnetotransport of periodically patterned systems, emerging from the interplay of cyclotron orbit and the pattern periodicity, are a benchmark of mesoscopic physics in electron gas systems. Exploiting…
Possible stably-ordered substitutional structures based on a graphene-type crystal lattice are considered. A kinetic model of atomic ordering in metal-doped graphene with stoichiometric (1/8, 1/4, 1/2) and nonstoichiometric compositions is…
It has been known that pentagons and heptagons in hexagonal graphitic network give rise to a certain amount of curvature in the three dimensional structure of graphitic carbon materials. The amount of curvature is quantized due to the…
The effects of edge covalent functionalization on the structural, electronic and optical properties of elongated armchair graphene nanoflakes (AGNFs) are analyzed in detail for a wide range of terminations, within the ramework of…
We determine, by means of density functional theory, the stability and the structure of graphene nanoribbon (GNR) edges in presence of molecules such as oxygen, water, ammonia, and carbon dioxide. As in the case of hydrogen-terminated…
Graphene's exceptional mechanical properties are crucial for its integration into advanced technological applications. However, real-world synthesis and functionalization processes introduce structural modifications that can compromise its…
Stackings in graphene have a pivotal role in properties to be discussed in the future, as seen in the recently found superconductivity of twisted bilayer graphene. Beyond bilayer graphene, the stacking order of multilayer graphene can be…
Graphene extraordinary strength, stiffness and lightness have generated great expectations towards its application in flexible electronics and as mechanical reinforcement agent. However, the presence of lattice defects, unavoidable in…
We report strongly enhanced perpendicular magnetic anisotropy (PMA) of Co films by graphene coating from both first-principles and experiments. Our calculations show that graphene can dramatically boost the surface anisotropy of Co films up…
Magnetic materials and nanostructures based on carbon offer unique opportunities for future technological applications such as spintronics. This article reviews graphene-derived systems in which magnetic correlations emerge as a result of…
The detailed analysis of the problem of possible magnetic behavior of the carbon-based structures was fulfilled to elucidate and resolve (at least partially) some unclear issues. It was the purpose of the present paper to look somewhat more…