Related papers: Structural and phonon properties of bundled single…
We investigate structural parameters, i.e., bond lengths and bond angles of isolated uncapped zigzag single-wall nanotubes in detail. The bond lengths and bond angles are determined for several radii tubes by using a theoretical procedure…
Using density functional calculations, we investigate the structural and magnetic properties of ultrathin Gd and Gd-carbide nanowires (NWs) encapsulated in narrow carbon nanotubes (CNTs). The equilibrium geometry of an encapsulated (2…
In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of…
Carbon nanotubes (CNTs) have attracted much attention for use in nanomechanical devices because of their exceptional properties, such as large resonant frequencies, low mass, and high quality factors. Here, we report the first experimental…
In this work we present an ab-initio study of electronic properties of 1 dimensional (1D) core-shell nanostructures made of MS2 (MoS2, WS2) or BN armchair nanotube encapsulated carbon nanotubes (CNT). With local density approximation (LDA)…
Single-walled carbon nanotubes (SWNTs) with varying degrees of disorder were investigated using multiple-excitation Raman spectroscopy. The lattice disorder was imparted into the nanotubes by the addition of varying amounts of sulfur to the…
Results of the bond lengths for various chiralities of single-wall carbon carbon nanotubes (SWNTs) (armchair, zigzag and chiral) are obtained. We use modified helical and rotational symmetries to describe the structure of SWNTs and Tersoff…
Heat conduction of single-walled carbon nanotubes (SWNTs) isotope-superlattice is investigated by means of classical molecular dynamics simulations. Superlattice structures were formed by alternately connecting SWNTs with different masses.…
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…
Helical method of tube formation for band structure calculations and Hartree-Fock self-consistent field method (HF-SCF) modified for periodic solids have been applied in study of electronic properties of single-wall silicon nanotubes…
In this letter, we demonstrate a strong dependence of the electrostatic deformation of doubly-clamped single-walled carbon nanotubes on both the field strength and the tube length, using molecular simulations. Metallic nanotubes are found…
Under which conditions do the electrical transport properties of one-dimensional (1D) carbon nanotubes (CNTs) and 2D graphene become equivalent? We have performed atomistic calculations of the phonon-limited electrical mobility in graphene…
We report the capacitive spring softening effect observed in single-walled carbon nanotube (SWNT) nanoelectromechanical (NEM) resonators. The nanotube resonators adopt dual-gate configuration with both bottom-gate and side-gate capable of…
The enhancement of spin-phonon coupling in gadolinium filled double walled carbon nanotubes (GdCl3@DWNTs) is demonstrated through temperature dependent magnetrometry and polarized Raman Spectroscopy (PRS). Temperature dependent…
A complete explanation of the synthesis of metal-catalyst nanoparticles, and the subsequent nucleation and growth of bundles of C-SWNTs is introduced using a novel model. It is shown that the synthesis process leads to the formation of a…
Recent conductance measurements on multi-wall carbon nanotubes (CNTs) reveal an effective behavior similar to disordered single-wall CNTs. This is due to the fact that electric current flows essentially through the outermost shell and is…
We have calculated the effects of structural distortions of armchair carbon nanotubes on their electrical transport properties. We found that the bending of the nanotubes decreases their transmission function in certain energy ranges and…
Using carbon nanotubes (CNTs) produced by chemical vapor deposition, we have explored different strategies for the preparation of carbon nanotube devices suited for electrical and mechanical measurements. Though the target device is a…
Single walled carbon nanotubes (SWNTs) are luminescent. Up to now, two preparation methods, both of which isolate individual SWNTs, have enabled the detection of nanotube bandgap photoluminescence (PL): encapsulation of individual SWNTs…
The phosphorus-doped single wall carbon nanotube (PSWCNT) is studied by using First-Principle methods based on Density Function Theory (DFT). The formation energy, total energy, band structure, geometry structure and density of states are…