Related papers: Carbon Nanotube with Square Cross-section: An Ab I…
We report on the nano-electron beam assisted fabrication of atomically sharp iron-based tips and on the creation of a nano-soldering iron for nano-interconnects using Fe-filled multiwalled carbon nanotubes (MWCNTs). High energy electron…
The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…
This paper is the first one of a series of two articles in which we revisit the optical properties of single-walled carbon nanotubes (SWNT). Produced by rolling up a graphene sheet, SWNT owe their intriguing properties to their cylindrical…
We propose a previously unexplored way to form Nb nanowires from NbCl$_3$ molecules inside carbon nanotubes (CNTs). We have studied this reaction by ab initio density functional calculations and found it to be catalytically promoted in…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…
Single wall carbon nanotubes cooled to cryogenic temperatures are outstanding electronic as well as nano-electromechanical model systems. To probe a largely unperturbed system, we measure a suspended carbon-nanotube device where the…
A comprehensive first-principles theoretical study of the electronic properties and half-metallic nature of finite zigzag carbon nanotubes is presented. Unlike previous reports, we find that all nanotubes studied present a spin-polarized…
The structural and electronic properties of aluminum covered single wall carbon nanotubes (SWNT) are studied from first-principles for a large number of coverage. Aluminum-aluminum interaction that is stronger than aluminum-tube…
Following the synthesis of aligned single-wall carbon nanotubes in the channels of AlPO4-5 zeolite single crystals, we present the first X-ray diffraction and diffuse scattering results. They can be analysed in terms of a partial filling of…
In recent years, many new materials have been developed and prepared to improve the performance of light-harvesting technologies and to develop new and attractive applications. The problem of stability of long-term operation of various…
A general linear stability analysis of simple metal nanowires is presented using a continuum approach which correctly accounts for material-specific surface properties and electronic quantum-size effects. The competition between surface…
A theoretical analysis of the superconductivity observed recently in Carbon nanotubes is proposed. We argue that ultra-small (diameter $ \sim 0.4 nm$) single wall carbon nanotubes (with transition temperature $T_c\sim 15 ^{o}K$) and…
A pristine suspended carbon nanotube is a near ideal environment to host long-lived quantum states. For this reason, they have been used as the core element of qubits and to explore numerous condensed matter physics phenomena. One of the…
We show that the electronic and atomic structure of carbon nanotubes undergo dramatic changes with hydrogen chemisorption from first principle calculations. Upon uniform exohydrogenation at half coverage, the cross sections of zigzag…
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,…
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…
The band gap of a semiconducting single wall carbon nanotube decreases and eventually vanishes leading to metalization as a result of increasing radial deformation. This sets in a band offset between the undeformed and deformed regions of a…
Electron properties of Carbon nanotubes in a transverse magnetic field are studied using a model of a massless Dirac particle on a cylinder. The problem possesses supersymmetry which protects low energy states and ensures stability of the…
Carbon nanotubes exhibit many unique intrinsic physical and chemical properties and have been intensively explored for biological and biomedical applications. In this review, we summarize the main results of our and other groups in this…