Related papers: Vibrational properties of nanographene
The spectrum of acoustic vibrational modes of an inhomogeneous elastic continuum are analyzed with application to a spherical nanoparticle embedded in an infinite glass block. The relationship of these modes to the discrete vibrational…
The quantum-mechanochemical-reaction-coordinate simulations have been performed to investigate the mechanical properties of hydrogen functionalized graphene. The simulations disclosed atomically matched peculiarities that accompany the…
We study the spectrum of vibrational modes in metal nanoparticles with a dielectric core. Vibrational modes are excited by the rapid heating of the particle lattice that takes place after laser excitation, and can be monitored by means of…
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…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
The energy of arbitrary graphene edge is derived in analytical form. It contains a "chemical phase shift", determined by the chemical conditions at the edge. Direct atomistic computations support the universal nature of the relationship.…
A new group-theory method to relate a spectrum of carbon nanotubes with that of a graphene monolayer is elaborated. The spectrum reconstruction is performed using a virtual intermediate planar periodic structure. Selected irreducible…
Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…
The interaction of graphene with metallic substrates reveals phenomena and properties of great relevance for applications in nanotechnology. In this review, the vibrational characterization by means of various inelastic scattering…
We investigate from first principles the electronic and optical properties of edge-modulated armchair graphene nanoribbons, including both quasi-particle corrections and excitonic effects. Exploiting the oscillating behavior of the ribbon…
We consider the orbital magnetic properties of non-interacting charge carriers in graphene-based nanostructures in the low-energy regime. The magnetic response of such systems results both, frombulk contributions and from confinement…
Few layer graphene/carbon (FLG/C) composites are prepared directly via the rapid and simple exfoliation of expanded graphite in the presence of carbon based natural precursors (i.e. protein, polysaccharide) in water, followed by…
Graphene ripples possess peculiar essential properties owing to the strong chemical bonds, as an investigation using first principle calculations clearly revealed. Various charge distributions, bond lengths, energy bands, and densities of…
Graphene nanoflakes are interesting because electrons are naturally confined in these quasi-zero-dimensional structures, whereas confinement in bulk graphene would require a band gap. Vacancies inside the graphene lattice lead to localized…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
Edge excitations of the $\nu=0$ quantum Hall state in monolayer graphene are studied within the mean-field theory with different symmetry-breaking terms. The analytical expressions for the continuum (Dirac) model wave functions are obtained…
The symmetry group analysis is applied to classify the phonon modes of $N$-stacked graphene layers (NSGL's) with AB- and AA-stacking, particularly their infra-red and Raman properties. The dispersions of various phonon modes are calculated…
Theory of nuclear magnetic resonance (NMR) in graphene is presented. The canonical form of the electron-nucleus hyperfine interaction is strongly modified by the linear electronic dispersion. The NMR shift and spin-lattice relaxation time…
Thermal properties of graphene display peculiar characteristics associated to the two-dimensional nature of this crystalline membrane. These properties can be changed and tuned in the presence of applied stresses, both tensile and…
Low-frequency Raman and inelastic neutron scattering of amorphous bis-phenol A polycarbonate is measured at low temperature, and compared. The vibrational density of states and light-vibration coupling coefficient are determined. The…