Over the recent years, numerical modelling and computer based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science. In this paper, we present the computational studies about the mechanical and transport properties of armchair (4, 4) and zigzag (4, 0) single walled carbon nanotubes (SWCNT). Unlike other materials, carbon nanotube...

We propose a catalytic growth mechanism of single-wall carbon nanotubes based on density functional total energy calculations. Our results indicate nanotubes with an “armchair” edge to be energetically favored over “zigzag” nanotubes. We also suggest that highly mobile Ni catalyst atoms adsorb at the growing edge of the nanotube, where they catalyze the continuing assembly of hexagons from carb...

We report the synthesis, characterization and photophysical features of a new nanometer scale carbon nanostructure, that is, a single-wall carbon nanotube bearing phthalocyanine chromophores.

In this work, we have studied Joule heating in carbon nanotube based very large scale integration (VLSI) interconnects and incorporated Joule heating influenced scattering in our previously developed current transport model. The theoretical model explains breakdown in carbon nanotube resistance which limits the current density. We have also studied scattering parameters of carbon nanotube (CNT)...

We have synthesized novel crystalline ropes of "polygonized" single-wall carbon nanotubes (SWCNTs). The tubes exhibit rounded-hexagonal cross sections in contrast to the earlier observations of nearly circular tubes. To investigate the structural characteristics of the lattice of SWCNTs we have performed extensive molecular-dynamics simulations. We find several metastable structures of the latt...

Since their discovery in 1993,1,2 carbon single-wall nanotubes (SWNTs) have been of great interest because of their expected novel electronic,3 mechanical,4 and gas adsorption properties.5 Difficulties arise in measuring these various properties because the SWNTs currently available for analyses have very small bundle sizes (1020 nm) and are typically in random orientations. A vital step for th...

In this paper we report for the first time, the photoconductivity of large area sheets of single wall carbon nanotube upon laser illumination. The photoconductivity exhibited an increase, decrease or even ‘negative’ values when the laser spot was on different positions between contact electrodes, showing a ‘position’ dependent effect of photoconductivity. Photon induced charge carrier generatio...

A novel single electron pump based on individual molecules (a single wall carbon nanotube) is discussed in terms of the hybrid superconducting-normal conducting pumping principle. A concept demonstration device has been built based on a carbon nanotube contacted by Nb-Ti leads. Charge current quantization is achieved through rf modulation of the back gate voltage. The device is able to transfer...