Related papers: An alternate mathematical model for single-wall ca…
The positions of atoms forming a carbon nanotube are usually described by using a system of generators of the symmetry group. Each atomic position corresponds to an element of the set Z x {0,1,...,n} x {0,1}, where n depends on the…
Newly discovered carbon nanotubes provide an environment in which small atoms move relatively freely. An assembly of such atoms provides a realization of a quasi-one dimensional system which is an ideal testing ground for concepts and…
Carbon nanotubes are a feverishly-studied topic in the scientific community as of late. Mathematically, they can be modeled with a quantum graph. Here we consider a structure somewhat similar to carbon nanotubes, another quantum graph that…
Carbon nanotubes are modeled as point particle configurations in the framework of Molecular Mechanics, where interactions are described by means of short range attractive-repulsive potentials. The identification of local energy minimizers…
For the first time, an approach is suggested for the quantitative description of the electronic structure of single-walled carbon nanotubes and the prediction of active sites for the tube controlled functionalization in view of the tube…
The structures and symmetries of single-walled carbon nanotubes (SWNTs) are introduced in detail. The physical properties of SWNTs induced by their symmetries can be described by tensors in mathematical point of view. It is found that there…
The full symmetry groups for all single- and multi-wall carbon nanotubes are found. As for the single-wall tubes, the symmetries form nonabelian nonsymorphic line groups, enlarging the groups reported in literature. In the multi-wall case,…
Adsorbed gases within, or outside of, carbon nanotubes may be analyzed with an approximate model of adsorption on lattice sites situated on a cylindrical surface. Using this model, the ground state energies of alternative lattice structures…
Carbon nanotubes have attracted considerable interest for their unique electronic properties. They are fascinating candidates for fundamental studies of one dimensional materials as well as for future molecular electronics applications. The…
We show how lattice Quantum Monte Carlo can be applied to the electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path-integral formalism and use methods developed within the…
A top-gated single wall carbon nanotube is used to define three coupled quantum dots in series between two electrodes. The additional electron number on each quantum dot is controlled by top-gate voltages allowing for current measurements…
The Graovac-Pisanski index, which is also called the modified Wiener index, considers the symmetries and the distances in molecular graphs. Carbon nanotubes are molecules made of carbon with a cylindrical structure possessing unusual…
We report the experimental realization of double quantum dots in single-walled carbon nanotubes. The device consists of a nanotube with source and drain contact, and three additional top-gate electrodes in between. We show that, by…
Aggregation of carbon nanotubes dispersed in nematic liquid crystalline medium is discussed. A model is proposed, which assumes that the aggregates consist of a "skeleton" formed by stochastically arranged nanotubes and a "shell" ("coat")…
A single-walled carbon nanotube presents a seamless cylindrical graphene surface and is thus an ideal adsorption substrate for investigating the physics of atoms and molecules in two dimensions and approaching the one-dimensional limit.…
The classical ground state magnetic response of fullerene molecules that resemble capped carbon nanotubes is calculated within the framework of the antiferromagnetic Heisenberg model. It is found that the magnetic response depends subtly on…
A simple 1D lattice gas model is presented, which very well describes the equilibrium and kinetic behaviors of water confined in a thin carbon nanotube found in an atomistic molecular dynamics(MD) simulation {[} Nature {\bf 414}, 188 (2001)…
We formulate the problem of adsorption onto the surface of a carbon nanotube as a lattice gas on a triangular lattice wrapped around a cylinder. This model is equivalent to an XXZ Heisenberg quantum spin tube. The geometric frustration due…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
This paper proposes a bottom-up sequence of modeling steps leading to a nanoscopically informed continuum, and as such macroscopic, theory of single-walled carbon nanotubes (SWCNTs). We provide a description of the geometry of the two most…