相关论文: Electric charge enhancements in carbon nanotubes: …
Deformations of single-wall carbon nanotubes are investigated within the tight-binding model with deformation-dependent hopping energies. We show that the nanotubes tend to twist and shrink spontaneously at zero temperature. The explicit…
The high-bias electrical transport properties of suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at various temperatures in vacuum, in various gases and when coated with molecular solids. It is revealed that…
We calculate phonon shifts of external modes of a bunch of carbon nanotubes. A simple model based on atom-atom potential has been used to calculate the implicit anharmonicity in the phonons of carbon nanotube bundles having rigid tubes,…
By combining ab initio all-electron localized orbital and pseudopotential plane-wave approaches we report on calculations of the electron affinity (EA) and the ionization potential (IP) of (5, 5) and (7, 0) single-wall carbon nanotubes. The…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
While it is well-known that electrode conductivity has a critical impact on rate-performance in battery electrodes, this relationship has been quantified only by computer simulations. Here we investigate the relationship between electrode…
The charge transport properties of individual, metallic nitrogen doped, single-walled carbon nanotubes are investigated. It is demonstrated that n-type conduction can be achieved by nitrogen doping. Evidence was obtained by appealing to…
We investigated the adsorption of a single atom, hydrogen and aluminum, on single wall carbon nanotubes from first-principles. The adsorption is exothermic, and the associated binding energy varies inversely as the radius of the zigzag…
Electrically-driven light emission from carbon nanotubes could be exploited in nano-scale lasers and single-photon sources, and has therefore been the focus of much research. However, to date, high electric fields and currents have been…
We have studied the discrete electronic spectrum of closed metallic nanotube quantum dots. At low temperatures, the stability diagrams show a very regular four-fold pattern that allows for the determination of the electron addition and…
In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
We use numerical simulations to investigate the effect of electrostatics on the source and drain contacts of carbon nanotube field-effect transistors. We find that unscreened charge on the nanotube at the contact-channel interface leads to…
Inter-tube conductance of double-wall carbon nanotubes with impurities is numerically studied. Its length dependence for various impurities is scaled by a mean-free path. The inter-tube conductance exhibits drastic linear increase with the…
The article reviews recent progress in the theoretical understanding of near-field surface electromagnetic phenomena in pristine and atomically doped carbon nanotubes. The phenomena involving strong coupling effects are outlined. They are…
We show that the electronic and atomic structure of carbon nanotubes undergo dramatic changes with hydrogen chemisorption from first principle calculations. Upon uniform exohydrogenation at half coverage, the cross sections of zigzag…
Electron properties of Carbon nanotubes in a transverse magnetic field are studied using a model of a massless Dirac particle on a cylinder. The problem possesses supersymmetry which protects low energy states and ensures stability of the…
We consider theoretically the dynamics of electric currents optically injected in carbon nanotubes. Although the plasma oscillations are not seen in these systems, the main effect on the carrier's motion is due to strongly nonuniform…
We study, theoretically, the ground state spin of a carbon nanotube in the presence of an external potential. We find that when the external potential is applied to a part of the nanotube, its variation changes the single electron spectrum…
We investigate charge pumping in carbon nanotube quantum dots driven by the electric field of a surface acoustic wave. We find that at small driving amplitudes, the pumped current reverses polarity as the conductance is tuned through a…