Related papers: Van der Waals interaction between two crossed carb…
We have studied tunneling of electrons into multi-wall carbon nanotubes. Nanotube/electrode interfaces with low transparency as well as nanotube/nanotube junctions created with atomic force microscope manipulation have been used. The…
A simple formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and the potential of neon (Ne) inside an infinitely long SWNT is analytically derived under the assumption of pair-wise…
C60-functionalized tips are used to probe C60 molecules on Cu(111) with scanning tunneling and atomic force microscopy. Distinct and complex intramolecular contrasts are found. Maximal attractive forces are observed when for both molecules…
Usually, in optical spectra of double-walled carbon nanotubes (DWCNTs) weak van der Waals coupling between the layers leads only to a small shift of transition energies with respect to their values in pristine single-walled nanotubes.…
Magnetic susceptibility $\chi$ of pristine and brominated arc-produced sample of multiwall carbon nanotubes was measured from 4.2 to 400 K. An additional contribution $\Delta \chi(T)$ to diamagnetic susceptibility $\chi(T)$ of carbon…
Quantum transport through the junction between two metallic carbon nanotubes connected by intertube links has been studied within the TB method and Landauer formula. It is found that the conductance oscillates with both of the coupling…
The experimental knowledge on interlayer potential of graphenites is summarized and compared with computational results based on phenomenological models. Besides Lennard-Jones approximation, the Mie potential is discussed, Kolmogorov-Crespy…
In earlier papers we have applied multiple scattering techniques to calculate Casimir forces due to scalar fields between different bodies described by delta function potentials. When the coupling to the potentials became weak, closed-form…
An elegant formula for coordinates of carbon atoms in a unit cell of a single-walled nanotube (SWNT) is presented and a new molecular motor of double-walled carbon nanotube whose inner tube is a long (8,4) SWNT and outer tube a short (14,8)…
Single-wall carbon nanotubes (SWNTs) are best known in their hollow cylindrical shapes, but the ground state of large-diameter tubes actually corresponds to a collapsed dumbbell-like structure, where the opposite sides of the nanotube wall…
We propose a practical approach to spin-polarized systems within the van der Waals density functional (vdW-DF). The method was applied to a gas phase oxygen molecule and a parallel (H-type) pair of oxygen molecules. It was found that vdW-DF…
We generalize derivation of partition functions of the grand canonical ensemble for the multicomponent van der Waals gas of interacting particles by hardcore potentials to the case of the attractive large-distance mean field. The formulas…
We report calculations of the effective electronic response of aligned multishell carbon nanotubes. A local graphite-like dielectric tensor is assigned to every point of the multishell tubules, and the effective transverse dielectric…
Heat dissipation in electrically biased semiconducting carbon nanotubes (CNTs) on single crystal quartz and amorphous SiO2 is examined with temperature profiles obtained by spatially resolved Raman spectroscopy. Despite the differences in…
Elastic radial deformation of multiwall carbon nanotubes (MWNTs) under hydrostatic pressure is investigated within the continuum elastic approximation. The thin-shell theory, with accurate elastic constants and interwall couplings, allows…
We examine the effect of van der Waals (vdW) interactions between atomic force microscope (AFM) tips and individual carbon nanotubes (CNTs) supported on SiO2. Molecular dynamics (MD) simulations reveal how CNTs deform during AFM…
The possibility for double-wall carbon nanotube to operate as the bolt and nut pair is studied. The barriers for relative motions of walls along the helical "thread" line and for jumps on neighbour helical lines are calculated as functions…
Single-walled carbon nanotubes show promise as nanoscale transistors, for nanocomputing applications. This use will require appropriate methods for creating electrical connections between distinct nanotubes, analogous to welding of metallic…
Repulsive short-range and attractive long-range van der Waals (vdW) forces have an appreciable role in the behavior of extended molecular systems. When using empirical force fields - the most popular computational methods applied to such…
A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar…