Chiral Single-walled Nanotubes Research Articles

Laser induced resistivity of chiral single wall carbon nanotubes

Using the Boltzmann transport equation within the semi-classical approximation with constant relaxation time, we theoretically studied the dynamics of electrons in chiral single wall nanotubes (SWNTs) subjected to a temperature gradient (∇T) in the presence of a combined direct current and high frequency alternating fields. We obtained an expression for the resistivity (ρc) of the SWNTs which varies with temperature and depends among others on material’s chiral angle (θh), dc field strength (Eo) and ac field amplitude (Es). Our results show that chiral SWNTs exhibit metallic behavior with resistivity increasing approximately linearly with temperature over a wide temperature range well above 100 K. Based on the low chiral resistivity obtained for the SWNTs at room temperatures, we propose these materials as good candidates for possible optoelectronic applications.

Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study

The mechanical behaviour of non-chiral and chiral single-walled carbon nanotubes under tensile and bending loading conditions is investigated. For this purpose, three-dimensional finite element modelling is used in order to evaluate the tensile and bending rigidities and, subsequently, the Young's moduli. It is shown that the evolution of rigidity, tensile and bending, as a function of diameter can be described by a unique function for non-chiral and chiral single-walled nanotubes, i.e. regardless of the index or angles of chirality. A comprehensive study of the influence of the nanotube wall thickness and diameter on the Young's modulus values is also carried out. It is established that the evolution of the Young's modulus as a function of the inverse of the wall thickness follows a quasi-linear trend for nanotubes with diameters larger than 1.085 nm. The current numerical simulation results are compared with data reported in the literature. This work provides a benchmark in relation to ascertaining the mechanical properties of chiral and non-chiral single-walled carbon nanotubes by nanoscale continuum models.

Magnetism of Co<sub>13</sub>-Filled Carbon Nanotubes of Diverse Chiral Symmetry

The attempt to study magnetism in (n,m) chiral space of single-walled carbon nanotubes (SWNTs) with embedded metal cluster is presented. Co13 metallic cluster inside zigzag and chiral single-walled nanotubes was investigated using density functional theory (DFT). Magnetic properties of the endohedral nanotubes with the various chiral index (n,m) were characterized by calculation of the total spin magnetic moment (S). The dependence of S on the chiral symmetry of nanotubes, as well as the orientation of Co13 cluster within nanotubes was found. Longitudinal orientation of icosahedral Co13 cluster was preferable for magnetization in general. However, it was shown that the magnetic landscape M = f(n,m) of endohedral nanotubes is very complex and sharp.

Tension and twist of chiral nanotubes: torsional buckling, mechanical response and indicators of failure

We report on molecular dynamic calculations of combined tension–torsion of chiral single-wall nanotubes. We work within the framework of objective structures that exploits symmetry groups to enable torsion of chiral nanotubes, in addition to non-equilibrium extension. We apply the method to study the mechanical response and failure of nanotubes of various chiralities. We find that three distinct regimes exist for nanotubes under twist: distorted but unbuckled, reversible torsional buckling and irreversible torsional buckling. When twisted but unbuckled nanotubes are subject to tension, there is minimal change in failure strain, whereas reversibly buckled nanotubes have substantially reduced failure strain and load. We also observe the evolution of the twisting moment during the elongation process while keeping the twist angle fixed. This evolution has two interesting and potentially useful features: first, some nanotubes ‘unbuckle’ in the process of extension, and second, there is a clear correlation between extrema in the evolution of the twisting moment and impending nanotube failure. Given the sensitivity of electrical properties in carbon nanotubes to torsion, and the recent demonstrations of measuring torsion-induced changes, the latter feature suggests the possibility of real-time diagnostics to detect critical mechanical events.

Synthesis of Carbon Nanotubes by Rolling up Patterned Graphene Nanoribbons Using Selective Atomic Adsorption

We demonstrate a new method (U.S. Patent Appl., serial no. 60/908039) for synthesizing carbon nanotubes (CNTs), using first-principles and classical molecular dynamics simulations. The single-walled nanotubes (SWNTs) are formed by folding graphene nanoribbons patterned on graphite films through adsorption of atoms of varying coverage, which introduces an external stress to drive the folding process. The diameter and chirality of SWNTs can be a priori controlled by patterning graphene nanoribbons with predefined width and direction so that the postsynthesis sorting process is eliminated. Our method allows potentially mass production of identical tubes and easy integration into device structures on a substrate.

Selective detection of chiral molecules by chiral single walled nanotubes

Calculations are conducted to demonstrate that chiral nanotubes used in a resonator configuration can discriminate the enantiomers and diastereoisomers of chiral molecules through their different dielectric properties. Application to amino acids adsorbed on various single walled nanotubes with different sizes and chiral angles gives the conditions for optimum detection and selectivity.

Racemic Single-Walled Carbon Nanotubes Exhibit Circular Dichroism When Wrapped with DNA

We have found that racemic mixtures of chiral single-walled nanotubes (SWNTs) wrapped with d(GT)20 DNA oligomer exhibit circular dichroism (CD). We attribute the CD signal to induced CD arising from the coupling of transition moments of the SWNTs and the DNA. Although the nanotube mixture appears to contain both enantiomers in equal amounts, DNA-SWNT transition moment interaction is more constructive for one SWNT enantiomer over the other, resulting in an overall CD signal.

Raman spectroscopy and nitrogen vapour adsorption for the study of structural changes during purification of single-wall carbon nanotubes

Raman spectroscopy and nitrogen adsorption measurements were combined to study the surface features of semi-conducting and metallic single-wall nanotubes (SWNTs). The nanotubes were treated chemically and with heat under moderate conditions that more than doubled the mesopore volume of the tested samples, which consistently led to a significant rise in the total surface area of up to 1550 m 2/g. The large increase in the number of micropores of less than 1 nm in diameter was associated with the loosening of nanotube bundles as well as the creation of structural flaws on the surface of individual SWNTs due to chemical treatment. Micropores in the 1.0–1.8 nm range were associated with the holes created on the surface of individual tubes. Heating at 1000 °C was shown to restore nanotube diameter to their initial pre-chemical treatment levels with the change in the chirality of SWNTs and diminish the porosity by closing small holes. It was assumed that the intermediate frequency range (500–1100 cm −1) was associated with the degree of imperfection of HiPco SWNTs crystalline structures, and therefore provided information about the degree of tube surface damage due to the presence of functional groups. A hypothesis explaining the transformation of SWNT porous structure during heat treatment is proposed.

Chiral Single-Wall Gold Nanotubes

Based on first-principles calculations we show that gold atoms can form both freestanding and tip-suspended chiral single-wall nanotubes composed of helical atomic strands. The freestanding, infinite (5,5) tube is found to be energetically the most favorable. While energetically less favorable, the experimentally observed (5,3) tube stretching between two tips corresponds to a local minimum in the string tension. Similarly, the (4,3) tube is predicted as a favorable structure yet to be observed experimentally. Analysis of band structure, charge density, and quantum ballistic conductance suggests that the current on these wires is less chiral than expected, and there is no direct correlation between the numbers of conduction channels and helical strands.