相关论文: Enhancement of chemical activity in corrugated gra…

Raised above the substrate and elastically deformed areas of graphene in the form of bubbles are found on different substrates. They come in a variety of shapes, including those which allow strong modification of the electronic properties…

We calculate the real and imaginary electron self-energy as well as the quasiparticle spectral function in doped graphene taking into account electron-electron interaction in the leading order dynamically screened Coulomb coupling. Our…

We report the chemical reaction of single-layer graphene with hydrogen atoms, generated in situ by electron-induced dissociation of hydrogen silsesquioxane (HSQ). Hydrogenation, forming sp3 C-H functionality on the basal plane of graphene,…

We explore the impact of geometrical corrugations on the near-wall flow properties of a soft-material driven in a confined rough microchannel. By means of numerical simulations, we perform a quantitative analysis of the relation between the…

We investigate edge properties of a gapful rectangular graphene quantum dot in a staggered potential. In such a system gap states with discrete and closely spaced energy levels exist that are spatially located on the left or right zigzag…

The reactivity of fusion plasma depends not only on its local density and temperature but also, through a recently identified kinetic effect, on the relative velocities of nearby fluid elements. Turbulence on fine spatial scales therefore…

Large scale atomistic simulations using the reactive force field approach (ReaxFF) are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A new set of parameters for the reactive force field potential…

Graphene and its heterostructures exhibit interesting electronic properties and are explored for quantum spin Hall effect(QSHE) and magnetism based device applications. In present work, we propose a heterostructure of graphene encapsulated…

The structure, and electrical, mechanical and optical properties of few-layer graphene (FLG) synthesized by chemical vapor deposition (CVD) on a Ni coated substrate were studied. Atomic resolution transmission electron microscope (TEM)…

We present an accurate interatomic potential for graphene, constructed using the Gaussian Approximation Potential (GAP) machine learning methodology. This GAP model obtains a faithful representation of a density functional theory (DFT)…

We calculate the energy spectrum and eigenstates of a graphene sheet which contains a circular deformation. Using time-independent perturbation theory with the ratio of the height and width of the deformation as the small parameter, we find…

Based on first principles density functional theory calculations we explored energetics of oxygen reduction reaction over pristine and nitrogen-doped graphene with different amounts of nitrogen doping. The process of oxygen reduction…

Formation of wrinkles is a common phenomenon in the large area growth of two dimensional layered materials on metallic substrates. Wrinkles can significantly affect the working of 2D materials based large scale electronic devices and…

The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most…

We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…

Chemical functionalization is a promising route to band gap engineering of graphene. We chemically grafted nitrophenyl groups onto exfoliated single-layer graphene sheets in the form of substrate-supported or free-standing films. Our…

Ordered graphene has been extensively studied. In this paper we undertake a first density functional study of it topologically disordered analogues of graphene, in the form of a random network, consisting predominantly of hexagonal rings,…

We analyze spin scattering in ballistic transport of electrons through a ripple at a normal incidence of an electron flow. The model of a ripple consists of a curved graphene surface in the form of an arc of a circle connected from the…

Morphogenesis emerges from dynamic feedback among geometry, mechanics, and chemistry; however, disentangling these contributions in living systems remains challenging. Here, we focus on the interplay between geometry and mechanics by…

The Green functions play a big role in the calculation of the local density of states of the carbon nanostructures. We investigate their nature for the variously oriented and disclinated graphene-like surface. Next, we investigate the case…