Related papers: Non-hexagonal-ring defects and structures induced …

Since the advent of graphene ushered the era of two-dimensional materials, many forms of hydrogenated graphene have been reported, exhibiting diverse properties ranging from a tunable band gap to ferromagnetic ordering. Patterned…

We study the effect of uniaxial strain on the electronic band structure of gapped graphene. We consider two types of gapped graphene, one which breaks the symmetry between the two triangular sublattices (staggered model), and another which…

Fusion of three benzene rings in a triangular fashion gives rise to the smallest open-shell graphene fragment, the phenalenyl radical, whose ${\pi}$-extension leads to an entire family of non-Kekul\'e triangular nanographenes with high-spin…

Few-layer graphene deposited on semiconductor nanorods separated by undoped spacers has been studied in perspective for the fabrication of stable nanoresonators. We show that an applied bias between the graphene layer and the nanorod…

Gallium nitride nanowire and nanorod substrates with different morphology are prospective platforms allowing to control the local strain distribution in graphene films top of them, resulting in an induction of pseudomagnetic fields. Atomic…

Here we study the evolution of local electronic properties of a twisted graphene bilayer induced by a strain and a high curvature. The strain and curvature strongly affect the local band structures of the twisted graphene bilayer; the…

The work presents a study on the quantum theory of periodic graphs applied to mono- and bilayer hexagonal materials. Different parameters associated with the atoms present at the vertices of these materials were analyzed, verifying the…

Quantum geometry of electronic wavefunctions results in fascinating topological phenomena. A prominent example is the intrinsic anomalous Hall effect (AHE) in which a Hall voltage arises in the absence of an applied magnetic field. The AHE…

Using density-functional theory, we calculate the electronic bandstructure of single-layer graphene on top of hexagonal In_2Te_2 monolayers. The geometric configuration with In and Te atoms at centers of carbon hexagons leads to a Kekule'…

The remarkable properties of graphene are inherent to its 2D honeycomb lattice structure. Its low dimensionality, which makes it possible to rearrange the atoms by applying an external force, offers the intriguing prospect of mechanically…

Defect-free graphene is impermeable to gases and liquids but highly permeable to thermal protons. Atomic-scale defects such as vacancies, grain boundaries and Stone-Wales defects are predicted to enhance graphene's proton permeability and…

We study the effects of strain on the electronic properties and persistent current characteristics of a graphene ring using the Dirac representation. For a slightly deformed graphene ring flake, one obtains sizable pseudomagnetic (gauge)…

The electronic and magnetic properties of graphane with H-vacancies are investigated with the help of quantum-chemistry methods. The hybridization of the edges is found to be absolutely crucial in defining the size of the bandgap, which is…

We derive electronic tight-binding Hamiltonians for strained graphene, hexagonal boron nitride and transition metal dichalcogenides based on Wannier transformation of {\it ab initio} density functional theory calculations. Our microscopic…

Graphene forms from a relatively dense, tightly-bound C-adatom gas, when elemental C is deposited on or segregates to the Ru(0001) surface. Nonlinearity of the graphene growth rate with C adatom density suggests that growth proceeds by…

Edges fractal approach in graphene e Defects density gain a b s t r a c t To optimize the technological development together with energy gain, the crucial materials needs to be tailored in a smart way to benefit a maximum from the…

Graphene is one of the most promising 2D materials for various applications due to its unique electronic properties and high thermal stability. In previous studies, it was shown that when graphene is deposited onto some transition metal…

We report on the formation of nitrogen-doped nanographenes containing five- and seven-membered rings by thermally induced cyclodehydrogenation on the Au(111) surface. Using scanning tunneling microscopy and supported by calculations, we…

Strain-induced deformations in graphene are predicted to give rise to large pseudomagnetic fields. We examine theoretically the case of gas-inflated bubbles to determine whether signatures of such fields are present in the local density of…

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…