Using a first-principles, local-density-functional approach, we report the bond length optimization of endohedral linear carbon chains. In these calculations, all-carbon nanowire structures were constructed by inserting cumulenic linear carbon chains inside the semiconducting (7,3) and metallic (7,4) single-wall carbon nanotubes with radii of about 0.35 nm. Our calculations show that the total ...

9 10 In this work we investigated the molecular dynamics of palmitoyl-oleoyl-phosphatidylcholine 11 and palmitoyl-oleoyl-phosphatidylethanolamine membrane bilayers enforced by single-wall 12 carbon nanotube using classical molecular dynamics simulation. We have considered that an 13 insertion of a single-wall carbon nanotube in the center of lipid membrane “strengthens” ambient 14 lipids and pr...

Using tight-binding as well as classical molecular dynamics we simulate the formation of single-wall carbon nanotube T-, Yand X-junctions via the fusing of two nanotubes. We propose energetically efficient pathways for this process in which all atoms maintain their sp2 arrangements throughout. Recent experimental advances have greatly increased the plausibility of synthesizing multiterminal jun...

Single-walled carbon nanotube (SWCNTs) can be thought of as graphene a single graphene sheet wrapped up to form a one-atom-thick cylinders. CNTs were discovered by Iijima [1] in 1991, since then the excellent charge transport properties of CNTs have been of great inter‐ est, for its great potential applications in nanoelectronics, such as high-speed field-effect transistors (FETs) [2, 3], singl...

Thick films of aligned single wall carbon nanotubes and ropes have been produced by filtration/ deposition from suspension in strong magnetic fields. We measured mosaic distributions of rope orientations in the film plane, for samples of different thicknesses. For an ;1 mm film the full width at half maximum ~FWHM! derived from electron diffraction is 25° – 28°. The FWHM of a thicker film (;7 m...

Based on spin-polarized density functional theory (DFT) calculations, the interaction between nickel cluster decorated single-wall carbon nanotube (CNT) and CO molecule has been investigated. DFT calculations are performed with generalized gradient approximation (GGA) using Perdew-Burke-Ernzerhof (PBE) functional. Interaction of CNT and cluster induces spin polarization in the CNT. Nickel decor...

The noise properties of single-walled carbon nanotube transistors (SWNT-FETs) are essential for the performance of electronic circuits and sensors. Here, we investigate the mechanism responsible for the low-frequency noise in liquid-gated SWNT-FETs and its scaling with the length of the nanotube channel down to the nanometer scale. We show that the gate dependence of the noise amplitude provide...

We report high pressure Raman studies on single wall carbon nanotube bundles under hydrostatic conditions using two different pressure transmitting media, alcohol mixture and pure water. The radial and tangential modes show a blue shift when SWNT bundle is immersed in the liquids at ambient pressures. The pressure dependence of the radial modes is the same in both liquids. However, the pressure...

The aim of this study is investigating the transport mechanism of ibuprofen chiral isomers inside single wall carbon nano tube (SWCNT) using mathematical modeling. To achieve this goal, molecular dynamics simulation has been performed to evaluate the interactions of ibuprofen isomers with SWCNT in an aqueous solution. Results show that both chiral forms of ibuprofen molecules enter and remain i...

We review recent progress in the measurement and understanding of the electrical properties of individual metal and semiconducting single-wall carbon nanotubes. The fundamental scattering mechanisms governing the electrical transport in nanotubes are discussed, along with the properties of p–n and Schottkybarrier junctions in semiconductor tubes. The use of advanced nanotube devices for electro...