相关论文: A Shell Theory for Chiral Single-Wall Carbon Nanot…

A theory of linearly elastic orthotropic shells is presented, with potential application to the continuous modeling of Carbon NanoTubes. Two relevant features are: the selected type of orthotropic response, which should be suitable to…

This paper proposes a bottom-up sequence of modeling steps leading to a nanoscopically informed continuum, and as such macroscopic, theory of single-walled carbon nanotubes (SWCNTs). We provide a description of the geometry of the two most…

We present an overview of strong correlations in single-wall carbon nanotubes, and an introduction to the techniques used to study them theoretically. We concentrate on zigzag nanotubes, although universality dictates that much ofthe theory…

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…

We develop and solve a continuum theory for the piezoelectric response of nanotubes under applied uniaxial and torsional stresses. We find that the piezoelectric response is controlled by the chiral angle, the aspect ratio, and two…

Band structure is theoretically studied in partially flattened carbon nanotubes within an effective-mass scheme. Effects of inter-wall interactions are shown to be important in non-chiral nanotubes such as zigzag and armchair and can…

We consider geometric constraints for the addition of carbon atoms to the rim of a growing nanotube. The growth of a tube proceeds through the conversion of dangling bonds from armchair to zigzag and vice versa. We find that the growth rate…

Nonchiral single wall carbon nanotubes with an "armchair" wrapping are theoretically predicted to be conducting, and high purity samples consisting predominantly of these tubes exhibit metallic behavior with an intrinsic resistivity which…

We compare the behavior of bond lengths, cross sectional shape and bulk modulus in equilibrium structure at ambient conditions and under hydrostatic pressure of all the three kinds of uncapped single walled carbon nanotubes. Results of our…

We present {\it ab initio} calculations of the magnetic susceptibility and of the $^{13}$C chemical shift for carbon nanotubes, both isolated and in bundles. These calculations are performed using the recently proposed gauge-including…

Recent molecular dynamic simulations have found chiral single wall carbon nanotubes (SWNTs) twist during stretching, which is similar to the motion of a screw. Obviously this phenomenon, as a type of curvature-chirality effect, can not be…

Single-walled carbon nanotubes are hollow cylinders, that can grow centimeters long by carbon incorporation at the interface with a catalyst. They display semi-conducting or metallic characteristics, depending on their helicity, that is…

Elastic radial deformation of multiwall carbon nanotubes (MWNTs) under hydrostatic pressure is investigated within the continuum elastic approximation. The thin-shell theory, with accurate elastic constants and interwall couplings, allows…

Through magnetic linear dichroism spectroscopy, the magnetic susceptibility anisotropy of metallic single-walled carbon nanotubes has been extracted and found to be 2-4 times greater than values for semiconducting single-walled carbon…

A simple model for the nucleation and growth of single wall carbon nanotubes from a graphene sheet at the surface of a metallic catalyst saturated in carbon is developed. It enables to predict the geometry and energy of tube embryos of all…

We systematically investigate the relationships between structural and electronic effects of finite size zigzag or armchair carbon nanotubes of various diameters and lengths, starting from a molecular template of varying shape and diameter,…

An extensive first-principles study of fully exo-hydrogenated zigzag (n,0) and armchair (n,n) single wall carbon nanotubes (C$_n$H$_n$), polyhedral molecules including cubane, dodecahedrane, and C$_{60}$H$_{60}$ points to crucial…

We derive an effective low-energy theory for metallic (armchair and non-armchair) single-wall nanotubes in the presence of an electric field perpendicular to the nanotube axis, and in the presence of magnetic fields, taking into account…

The continuous two-dimensional (2D) elastic model for single-walled carbon nanotubes (SWNTs) provided by Tu and Ou-Yang in [Phys. Rev. B \textbf{65}, 235411 (2003)] is reduced to a one-dimensional (1D) curvature elastic model strictly. This…

Elastic properties of carbon nanotubes and nanoropes are investigated using an empirical force-constant model. For single and multi-wall nanotubes the elastic moduli are shown to be insensitive to details of the structure such as the…