The diffusivities of methane in single-walled carbon nanotubes (SWNTs) are investigated at various temperatures and pressures using classical molecular dynamics (MD) simulations complemented with grand canonical Monte Carlo (GCMC) simulations. The carbon atoms at the nanotubes are structured according to the (m, m) armchair arrangement and the interactions between each methane molecule and all ...

Herein, we demonstrate that highly sensitive conductometric gas nanosensors for H(2)S can be synthesized by electrodepositing gold nanoparticles on single-walled carbon nanotube (SWNT) networks. Adjusting the electrodeposition conditions allowed for tuning of the size and number of gold nanoparticles deposited. The best H(2)S sensing performance was obtained with discrete gold nanodeposits rath...

Possible ways for manipulating carbon nanotubes (CNTs) with cyclic supermolecules are studied using density functional theory. Electronic structure calculations with structure optimizations have been performed for the (4,4) and (8,0) single-walled carbon nanotubes (SWNTs) complexed with crown ethers as well as for the (4,0) SWNT with beta-cyclodextrin. A slight polarization of charge in both th...

in this work the synthesis of polyaniline/chitosan/functionalized single- walled carbon nanotube nanocomposite is carried out. for this purpose single -walled carbon nanotubes were reacted with thionyl chloride to change the hydroxyl to acyl chloride groups for improving the react ability. in other step, aniline monomers and chitosan were polymerized in the presence of iron (iii) chloride to sy...

The nature and dynamics of bonding between Fe, Ru, Os, and single-walled carbon nanotubes (SWNTs) is studied by aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM). The metals catalyze a wide variety of different transformations ranging from ejection of carbon atoms from the nanotube sidewall to the formation of hollow carbon shells or metal carbide within the SWNT,...

A systematic study was carried out to dope single-walled carbon nanotube (SWNT) bundles with varying amounts of boron using the pulsed laser vaporization technique. Targets containing boron concentrations ranging from 0.5 to 10at.% boron were prepared by mixing elemental boron with carbon paste and the Co/Ni catalysts. The laser-generated products that were obtained from these targets were char...

A new molecular motor is conceptually constructed from a doublewalled carbon nanotube (DWNT) consisting of a long inner singlewalled carbon nanotube (SWNT) and a short outer SWNT with different chirality. The interaction between inner and outer tubes is the sum of the Lennard-Jones potentials between carbon atoms in inner tube and those in outer one. Within the framework of SmoluchowskiFeynman ...

Efficient immunotherapy can be accomplished by expanding T cells outside the body using single walled carbon nanotube (SWNT) bundles presenting antibody stimuli. Owing to the large surface area of these bundles, which can reach 1560 m (2)/g, T cell stimulating antibodies such as anti-CD3, can be presented at high local concentrations inducing potent activation of T cells. We show that anti-CD3 ...

A mathematical model describing the transport and kinetics of substrate and redox mediator in surface deposited films of finite thickness is described. These bio-catalytically active chemically modified electrodes comprise redox enzymes immobilized in a highly dispersed mesh of single walled carbon nanotubes (SWNT) which are in turn immobilized on a support metal surface. A small molecule redox...

Carbon nanotubes are fullerene-related structures, which are entirely composed of carbon atoms. We present molecular mechanics (MM) simulations of mechanical properties of single-walled carbon nanotubes (SWNT) and molecular dynamics (MD) simulations of interactions between polymers and SWNT. A SWNT is usually thought of as a perfect graphene sheet wrapped up into a cylinder. However, in practic...