The adsorption of simple benzene derivatives composed of a benzene ring with NO2, CH3, or NH2 functional groups on a semiconducting single-wall carbon nanotube is studied using the density-functional theory within the local-density approximation. The effects of molecular relaxation in the adsorption process are obtained, as well as the adsorption energies and equilibrium distances for several m...

A brief historical review of carbon nanotube research is presented and some basic definitions relevant to the structure and properties of carbon nanotubes are provided. Carbon nanotubes are unique nanostructures that can be considered conceptually as a prototype one-dimensional (1D) quantum wire. The fundamental building block of carbon nanotubes is the very long all-carbon cylindrical Single W...

A quantum capacitance is calculated for a single wall carbon nan otube in a eld e ect device The calculation is performed on a base of a continuum model taking into account full microscopics A general ex pression for the atomistic capacitance of a nanotube of arbitrary shape is derived The result is useful for modeling of electromechanical action of a nanotube device and for nanotube electronic...

We have investigated reversible single-wall carbon nanotube (SWNT) oxidation by quantitative analysis of the oxide-induced absorption bleaching and luminescence quenching at low pH. These data, in combination with DFT structure calculations, suggest that the nanotube oxide is a 1,4-endoperoxide. At low pH, the endoperoxide protonates to create a hydroperoxide carbocation, introducing a hole in ...

We demonstrate reversible wetting and filling of open single-wall carbon nanotubes with mercury by means of electrocapillary pressure originating from the application of a potential across an individual nanotube in contact with a mercury drop. Wetting improves the conductance in both metallic and semiconducting nanotube probes by decreasing contact resistance and forming a mercury nanowire insi...

We determine optical absorption cross sections of single-wall carbon nanotubes for visible light copolarized and cross polarized with respect to the nanotube axis. The need for perfectly aligned ensembles in absorbance measurements is eliminated by using Raman scattering to measure the nematic order parameter in magnetically aligned nanotube suspensions. The absorbance data allow the first quan...

in this paper, we have used density functional perturbation theory (dfpt) and pseudo-potential method to calculate the phonon spectrum, phonon density of states (dos), specific heat capacity and mechanical properties of (5,5) armchair and (9,0) zigzag single wall carbon nanotubes (swcnts). our calculations show that young’s modulusfor (5,5) and (9,0) nanotubesare higher than 1tpa. we have also ...

In this paper, we have used density functional perturbation theory (DFPT) and Pseudo-potential method to calculate the phonon spectrum, phonon density of states (DOS), specific heat capacity and mechanical properties of (5,5) armchair and (9,0) zigzag Single Wall Carbon Nanotubes (SWCNTs). Our calculations show that Young’s modulusfor (5,5) and (9,0) nanotubesare higher than 1TPa. We have also ...

Carbon nanotube sheets have great potential for specific engineering applications owing to their unique, tunable properties such as conductivity. To date, most CNT sheet materials (e.g., buckypapers) are fabricated by using single wall carbon nanotubes (SWNTs). However, multi-wall carbon nanotubes (MWNTs) are much cheaper than SWNTs, and better suited to large scale industrial applications. One...