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Electrons in graphene with heavy adatoms (such as In or Tl) have been predicted to form a 2D topological insulator phase with a substantial spectral gap potentially suitable for future practical applications. In order to facilitate the…
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)…
The discovery of graphene, a single layer of covalently bonded carbon atoms, has attracted intense interests. Initial studies using mechanically exfoliated graphene unveiled its remarkable electronic, mechanical and thermal properties.…
Graphene is at the centre of nanotechnology research. In order to fully exploit its outstanding properties, a mass production method is necessary. Two main routes are possible: large-scale growth or large-scale exfoliation. Here, we…
Adsorption is one important way applied to water decontamination, where carbon is commonly used as highly effective absorbent. Carbon of different morphologies and structures normally demonstrate distinct capabilities to adsorption-typed…
The hydrogen dynamics on a graphene sheet is studied in the presence of carbon vacancies. We analyze the motion of atomic H by means of molecular dynamics (MD) simulations, using a tight-binding Hamiltonian fitted to density-functional…
We present electronic structure and quantum transport calculations that predict conducting channels induced in graphene quantum dots by lines of adsorbed hydrogen atoms to function as highly efficient, experimentally realizable valley…
It has been recently predicted theoretically that due to nuclear motion light and heavy hydrogen molecules exposed to strong electric field should exhibit substantially different tunneling ionization rates (O.I. Tolstikhin, H.J. Worner and…
Plasmons in van der Waals heterostructures comprised of graphene and related layered materials demonstrate deep subwavelength confinement and large propagation length. In this letter, we show that graphene-insulator-graphene tunnel…
The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…
To clarify the yielding mechanism of small hydrocarbon molecules in chemical sputtering between hydrogen and graphene sheets, we made classical molecular dynamics simulation with modified Brenner's REBO potential which we proposed to deal…
Graphene holds great potential for superconductivity due to its pure two-dimensional nature, the ability to tune its carrier density through electrostatic gating, and its unique, relativistic-like electronic properties. At present, we are…
We report low temperature high magnetic field scanning tunneling microscopy and spectroscopy of graphene flakes on graphite that exhibit the structural and electronic properties of graphene decoupled from the substrate. Pronounced peaks in…
We present and analyze two mathematical models for the self consistent quantum transport of electrons in a graphene layer. We treat two situations. First, when the particles can move in all the plane $\RR^2$, the model takes the form of a…
Despite being only one-atom thick, defect-free graphene is considered to be completely impermeable to all gases and liquids. This conclusion is based on theory and supported by experiments that could not detect gas permeation through…
Here we demonstrate the selective bulk scale synthesis of delaminated graphene sheets by a proper choice of magnetic field modulating an electric-arc. An ultra-high purity glassy graphite anode was sublimated in an argon atmosphere. Carbon…
The speed of silicon-based transistors has reached an impasse in the recent decade, primarily due to scaling techniques and the short-channel effect. Conversely, graphene (a revolutionary new material possessing an atomic thickness) has…
A distant-neighbor quantum-mechanical method is used to study the nonlinear optical wave mixing in graphene nanoflakes (GNFs), including sum- and difference-frequency generation, as well as four-wave mixing. Our analysis shows that…
Highly energetic ions traversing a two-dimensional material such as graphene produce strong electronic excitations. Electrons excited to energy states above the work function can give rise to secondary electron emission, reducing the amount…
The short wavelength of graphene plasmons relative to the light wavelength makes them attractive for applications in optoelectronics and sensing. However, this property limits their coupling to external light and our ability to create and…