Suspensions of single-walled, double-walled and multi-walled carbon nanotubes (CNTs) were generated in the same solvent at similar concentrations. Films were fabricated from these suspensions and used in carbon nanotube/silicon heterojunction solar cells and their properties were compared with reference to the number of walls in the nanotube samples. It was found that single-walled nanotubes ge...

We introduce intertube interactions of a cantilevered triple-walled carbon-nanotube (TWCNT) resonators via classical molecular dynamics simulations. The fundamental frequencies of TWCNT resonators were less than those of singleand double-walled carbon nanotubes of a given diameter because of the increasing intertube disturbance. Our results imply that for a nanotube with a given diameter, the f...

X-ray Compton scattering measurements of the electron momentum distribution in water confined in both single-walled and double-walled carbon nanotubes (SWNT and DWNT), as a function of temperature and confinement size are presented here together with earlier measurements of the proton momentum distribution in the same systems using neutron Compton scattering. These studies provide a coherent pi...

We show that the number of concentric graphene cylinders forming a carbon nanotube can be found by squeezing the tube between an atomic force microscope tip and a silicon substrate. The compressed height of a single-walled nanotube (double-walled nanotube) is approximately two (four) times the interlayer spacing of graphite. Measured compression forces are consistent with the predicted bending ...

first principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (dft) method. computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. all calculations were performed using dmol3 code which is based on dft. the doubl...

First principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (DFT) method. Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. All calculations were performed using DMol3 code which is based on DFT. The Doubl...

We report a numerical investigation on the catalytic growth mechanism of a single-walled carbon nanotube (SWNT) inside a template SWNT, that is, formation of a double-walled carbon nanotube (DWNT). The molecular dynamics simulations together with complementary ab inito calculations suggest that the DWNT formation from thermally annealed metallocene-encapsulating SWNT goes through formation of m...

In the last years carbon nanotubes have attracted increasing attention for their potential applications in the biomedical field as diagnostic and therapeutic nano tools. Here we investigate the antimicrobial activity of different fully characterized carbon nanotube types (single walled, double walled and multi walled) on representative pathogen species: Gram-positive Staphylococcus aureus, Gram...

In this article, based on the Euler-Bernoulli beam theory, the large-amplitude vibration of multiwalled carbon nanotubes embedded in an elastic medium is investigated. The method of incremental harmonic balance is implemented to solve the set of governing nonlinear equations coupled via the van der Waals (vdW) interlayer force. The influences of number of tube walls, the elastic medium, nanotub...

The generation process of a double-walled carbon nanotube (DWNT) from a “peapod” was studied by classical molecular dynamics simulation. Starting from a peapod structure, defined by five C60 molecules inside a (10,10) single-walled carbon nanotube (SWNT), polymerized fullerenes, a peanut-like structure and an almost nanotube-like structure were obtained under suitable conditions of temperature ...