Related papers: Twisting Carbon Nanotubes: A Molecular Dynamics St…
The objective of the present paper is to investigate interface effects in carbon nanotubes. We use both real and k-space tight binding method. We study in detail the effect of wrapping vector on the electronic properties. We analyze the…
By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…
Using the Landauer-Buttiker formalism, we calculate the effect of structural twist on electron transport in conducting carbon nanotubes. We demonstrate that even a localized region of twist scatters the propagating pi electrons and induces…
Two mechanisms that drive metal-to-semiconductor transitions in single-walled carbon nanotubes are theoretically analyzed through a simple tight-binding model. By considering simple structural trends, the results demonstrate that…
Vibration reduction is of great importance in various engineering applications, and a material that exhibits good vibration damping along with high strength and modulus has become more and more vital. Owing to the superior mechanical…
The O(N) and parallelization techniques have been successfully applied in tight-binding molecular-dynamics simulations of single-walled carbon nanotubes (SWNTs) of various chiralities. The accuracy of the O(N) description is found to be…
We revisit correlation effects in doped metallic zigzag carbon nanotubes by using both the one-loop renormalization group and non-perturbative bosonization techniques. Note that, if a nanotube is placed near a conducting plate, the…
Magnetic flux tubes in the solar wind can be twisted as they are transported from the solar surface, where the tubes are twisted owing to photospheric motions. It is suggested that the twisted magnetic tubes can be detected as the variation…
A single-walled carbon nanotube presents a seamless cylindrical graphene surface and is thus an ideal adsorption substrate for investigating the physics of atoms and molecules in two dimensions and approaching the one-dimensional limit.…
The first order phase transition of a water cluster confined in a dynamic single-walled carbon nanotube is investigated using a classical molecular dynamics (MD) method. The formation of ice-nanotube is monitored through the structure…
We present a detailed electron diffraction study of individual single-walled carbon nanotubes. A novel sample preparation procedure provides well-separated, long and straight individual single-shell nanotubes. Diffraction experiments are…
We report results of theoretical studies on the elastic properties of single-wall nanotubes of the following compositions: C, BN, ${BC}_3$, ${BC}_2{N}$ and ${C}_3{N}_4$. These studies have been carried out using a total energy,…
The relaxation of twist in elastic filaments often drives conformational changes. We explore this paradigm using all-atom computations and report the formation of novel supercoiled shapes in individual carbon nanotubes (CNTs). Decreasing…
The electronic spectra for double-wall zigzag and armchair nanotubes are found. The influence of nanotube curvatures on the electronic spectra is also calculated. Our finding that the outer shell is hole doped by the inner shell is in the…
Scanning probe imaging and manipulation of matter is of crucial importance for nanoscale science and technology. However, its resolution and ability to manipulate matter at the atomic scale is limited by rather poor control over the fine…
Nanoelectromechanical systems (NEMs) hold promise for a number of scientific and technological applications. In particular, NEMs oscillators have been proposed for use in ultrasensitive mass detection, radio-frequency signal processing, and…
The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio…
Towards the development of a useful mechanism for hydrogen storage, we have studied the hydrogenation of single-walled carbon nanotubes with atomic hydrogen using core-level photoelectron spectroscopy and x-ray absorption spectroscopy. We…
Carbon nanotubes are promising building blocks for various nanoelectronic components. A highly desirable geometry for such applications is a coil. However, coiled nanotube structures reported so far were inherently defective or had no free…
We report, through experimental observations and computer simulations, that atomic lattice interlocking can determine whether an object rolls or slides on a surface. We have quantitatively manipulated carbon nanotubes (CNTs) on a variety of…