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 research we have studied aimed to compare the adsorption of dexamethasone by two adsorbent; multi-wall carbon nanotube and activated carbon with the help of UV/VIS spectrophotometer Jenway 6505 model. Adsorption chart based on the wavelength of dexamethasone has been obtained and the relevant graph is plotted by considering factor of concentration. Four different concentrations necessar...

Using nonresonant bond-polarization theory, the Raman intensity of a single-wall carbon nanotube is calculated as a function of the polarization of light and the chirality of the carbon nanotube. The force-constant tensor for calculating phonon dispersion relations in the nanotubes is scaled from those for two-dimensional graphite. The calculated Raman spectra do not depend much on the chiralit...

A highly sensitive and stable tris(2,2′-bipyridyl)ruthenium(II) (Ru(bpy)3) electrogenerated chemiluminescence (ECL) sensor was developed based on carbon nanotube (CNT) dispersed in mesoporous composite films of sol–gel titania and perfluorosulfonated ionomer (Nafion). Single-wall (SWCNT) and multi-wall carbon nanotubes (MWCNT) can be easily dispersed in the titania–Nafion composite solution. Th...

Density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). This study is conducted at B3LYP/6-31G* level of theory. Sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. Both internal and external adsorption on nanotubes is increased with the angle of interact...

Compared to single-walled carbon nanotubes (SWNTs) and more defective multiwalled carbon nanotubes (MWNTs), the thin few-walled carbon nanotubes (FWNTs) are believed to have extraordinary mechanical properties. However, the enhancement of mechanical properties in FWNTs-polymer composites has remained elusive. In this study, free-standing carbon nanotubes (CNTs)/polymer composite films were fabr...