Related papers: Chemically active substitutional nitrogen impurity…
The effect of a N2 impurity on the radial thermal expansion coefficient (ar) of single-walled carbon nanotube bundles has been investigated in the temperature interval 2.2 - 43 K by the dilatometric method. Saturation of nanotube bundles…
By utilizing the current transients in scanning tunneling spectroscopy, the local interfacial electronics between multiwalled carbon nanotubes and several supporting substrates has been investigated. Voltage offsets in the tunneling spectra…
Carbon nanotubes are nano-objects with quite anisotropic properties, for example the mechanical properties in longitudinal and radial directions differ significantly. This feature of the carbon nanotubes yields many interesting phenomena…
We identify a class of covalent functionalizations that preserves or controls the conductance of single-walled metallic carbon nanotubes. [2+1] cycloadditions can induce bond cleaving between adjacent sidewall carbons, recovering in the…
We study the thermodynamics of bromophenyl functionalization of carbon nanotubes with respect to diameter and metallic/insulating character using density-functional theory (DFT). On one hand, we show that the activation energy for the…
We demonstrate that in a densely packed aligned array of single walled carbon nanotubes, the breakdown of one nanotube leads to a highly correlated breakdown of neighboring nanotubes, thereby producing a nano-fissure. We show that the…
Multiwalled carbon nanotubes are shown to be ballistic conductors at room temperature, with mean free paths of the order of tens of microns. These experiments follow and extend the original experiments by Frank et al (Science, 280 1744…
According to band theory, an ideal undoped (n,n) carbon nanotube is metallic. We show that the electron-electron interaction causes it to become Mott insulating with a spin gap. More interestingly, upon doping it develops superconducting…
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…
We present a study on the mechanical configuration and the electronic properties of semiconducting carbon nanotubes supported by partially depassivated silicon substrates, as inferred from topographic and spectroscopic data acquired with a…
The bonding properties of tilt boundary in poly-silicon and the effect of interstitial impurities are investigated by first-principles. In order to obtain thorough information on the nature of chemical bondings in these solid systems, an…
Local electronic effects in the vicinity of an impurity provide pivotal insight into the origin of unconventional superconductivity, especially when the materials are located on the edge of magnetic instability. In high-temperature cuprate…
Geometric optimization and electronic properties of Stone-Wales defective antimonene nanotubes are calculated by the method of first -principle calculations based on density functional theory. Various nanotubes are investigated according to…
The band structures of the periodic nanotube junctions are investigated by the effective mass theory and the tight binding model. The periodic junctions are constructed by introducing pairs of a pentagonal defect and a heptagonal defect…
Carbon nanotubes are the focus of considerable research efforts due to their fascinating physical properties. They provide an excellent model system for the study of one dimensional materials and molecular electronics. The chirality of…
Hybrid functionals and empirical correction schemes are compared to conventional semi-local density functional theory (DFT) calculations in order to assess the predictive power of these methods concerning the formation energy and the charge…
We present a new mechanism of carbon nanotube superconductivity that originates from edge states which are specific to graphene. Using on-site and boundary deformation potentials which do not cause bulk superconductivity, we obtain an…
A mechanically bistable single-walled carbon nanotube can act as a variable-shaped capacitor with a voltage-controlled transition between collapsed and inflated states. This external control parameter provides a means to tune the system so…
We present a theoretical study of degeneracy breaking due to short-ranged impurities in finite, single-wall, metallic carbon nanotubes. The effective mass model is used to describe the slowly varying spatial envelope wavefunctions of…
We propose the model of a manifold of one-dimensional interacting electron systems to account for the superconductivity observed in ropes of nanotubes. We rely on the strong suppression of single-particle hopping between neighboring…