Electronic structure of embedded carbon nanotubes

Linear augmented cylindrical wave method and its applications to nanotubes electronic structure

“…The metallic character of the band structure of an armchair nanotube persists. In the pristine nanotube, the Fermi level is located at a density of states minimum, and tunneling of electrons into the matrix region leads to an increase in the density of states at the Fermi level [38,39]. For semiconducting nanotubes, the minimal gap E 11 in the center of the Brillouin zone is sensitive to the matrix effect (Fig.…”

“…The barrier V m between the nanotube and the matrix is penetrable (finite), so that delocalization of electrons from the nanotube into the matrix is possible. We have obtained the solutions of the Schrödinger equation for the orbitals and electronic energies of the nanotube in the matrix [38,39]. The matrix is assumed to be a homogeneous medium with a constant potential V m , which corresponds to the model of a single-walled carbon nanotube in contact with an electron gas.…”

Multifunctional nanocomposites reinforced with carbon nanopapers

“…The individual CNTs and graphene have been extensively studied (Ohta et al, 2006;Saito et al, 1992a;Barone et al, 2006;Varchon et al, 2007;D'yachkov and Makaev, 2005;Wilder et al, 1998). The electronic structure of metallic and semiconducting CNTs sensitively depends on the wrapping angle of the graphene sheet.…”

First-principle molecular-dynamics study of hydrogen adsorption on an aluminum-doped carbon nanotube

“…Young's moduli of CNT are known as more than 1 TPa [3][4][5], and their radius and chiralities control the electronic properties such as band gaps [6][7][8][9][10]. In particular, a great interest in CNTs as effective hydrogen-storage materials for fuel-cell applications has recently increased.…”