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In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
A nanoscopic simulation for an acceleration sensor is aimed based on the piezoresistive effect of carbon nanotubes (CNTs). Therefore, a compact model is built from density functional theory (DFT), compared with results of molecular dynamics…
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…
The appearance of angular momentum in the nuclear motion of molecular systems lacking inversion symmetry under imposed thermal gradients presents a novel mechanism with potential implications for spintronics, magnetic response, and energy…
Chiral carbon nanotubes (CNTs) are direct-gap semiconductors with optical properties governed by one-dimensional excitons with enormous oscillator strengths. Each species of chiral CNTs has an enantiomeric pair of left- and right-handed…
The rheological and electrical properties of suspensions of carbon nanotubes in an uncured epoxy resin were investigated by means of shear rheology and impedance spectroscopy. It was found that above an onset CNT weight fraction (0.1 wt %),…
Recent nuclear magnetic resonance measurements on isotope engineered double walled carbon nanotubes (DWCNTs) surprisingly suggest a uniformly metallic character of all nanotubes, which can only be explained by the interaction between the…
A row of parallely ordered and coupled molecular nanoshafts is shown to develop a shuttling transport of charges at finite temperature. The appearance of a cu rrent without applying an external bias voltage is reported as well as a natura l…
Rolling up of a layer with arbitrary lattice gives nanotube with very reach symmetry, described by a line group which is found for arbitrary diperiodic group of the layer and chiral vector. Helical axis and pure rotations are always…
Nb and its compounds are widely used in quantum computing due to their high superconducting transition temperatures and high critical fields. Devices that combine superconducting performance and spintronic non-volatility could deliver…
The conductance, $G(E)$, through graphene nanoribbons (GNR) connected to a partially unzipped carbon nanotube (CNT) is studied in the presence of an external magnetic field applied parallel to the long axis of the tube by means of…
We present a theoretical study of spin-dependent transport through molecular wires bridging ferromagnetic metal nanocontacts. We extend to magnetic systems a recently proposed model that provides a em quantitative explanation of the…
The effects of partial hydrogenation on the structure and electronic properties of boron nitride nanotubes are investigated via density functional theory calculations. We find that the structure of the nanotube may considerably deform…
Narrow carbon nanotubes (CNTs) desalinate water, mimicking water channels of biological membranes, yet the physics behind selectivity, especially, the effect of the membrane embedding CNTs on water and ion transfer, is still unclear. Here,…
After making a cold weld by pressing two clean metal surfaces together, upon gradually separating the two pieces a metallic nanowire is formed, which progressively thins down to a single atom before contact is lost. In previous experiments…
We report the one-electron spectrum and eigenstates of infinite achiral and chiral $(2m,m)$ carbon nanotubes found by using the analytic solution to the Schr\"odinger equation for the tight-binding H\"uckel-type Hamiltonian. With the help…
A carbon nanotube is an ideal object for understanding the atomic scale aspects of interface interaction and friction. Using molecular statics and dynamics methods different types of motion of nanotubes on a graphite surface are…
A high-yield production of high-quality boron-nitride nanotubes (BNNTs) was reported recently in several publications. A boron-rich material is evaporated by a laser or plasma in a nitrogen-rich atmosphere to supply precursor gaseous…
Quantum transport properties of intermolecular nanotube contacts are investigated. We find that atomic structure in the contact region plays important roles and resistance of contacts varies strongly with geometry and nanotube chirality.…
The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…