We studied, through first-principles calculations based on the density functional theory, the charge distribution, the density of states and the tip rearrangement of two mirrored boron nitride nanocones with 240 disclination angles and separated from each other from 2 , 3 and 10 under the influence of an external electric field ranging from 0.5 V/ to 1.1 V/ applied along the axis. Changes at the charge distribution, density of states and tip configuration were observed with the variation of the cones separation distance and the magnitude of the external electric field
Geometrical and electronic structures of open-ended armchair and zigzag single-walled boron nitride ...
Extensive ab initio finite electric-field calculations are performed to study the static transverse ...
The development of computers and algorithms capable of making increasingly accurate and rapid calcu...
Texto completo: acesso restrito. p.1907–1911We apply first-principles calculations to investigate t...
The electronic structures of carbon (C) and boron nitride (BN) nanotubes under a transverse electric...
[[abstract]]The electronic structures of carbon (C) and boron nitride (BN) nanotubes under a transve...
The electro-optical modulation effect of a (10,0) boron nitride nanotube is investigated by first-pr...
The geometric structures, energetics and electronic properties of the recently discovered BN nanoco...
Conselho Nacional de Desenvolvimento Científico e TecnológicoIn this Thesis we investigate several p...
We have investigated, using first-principles calculations, the role of a substitutional carbon atom ...
We determine atomic and electronic structures of arm-chair and zigzag boron nitride nanotubes (BN-NT...
The electronic and structural properties of double-walled boron nitride (BN) nanotubes are studied u...
Abstract The effect of uni-axial strain on the electronic properties of (8,0) zigzag and (5,5) armch...
Electron-beam-mediated postsynthesis doping of boron-nitride nanostructures with carbon atoms [Natur...
The quest for novel two-dimensional materials has led to the discovery of hybrids where graphene and...
Geometrical and electronic structures of open-ended armchair and zigzag single-walled boron nitride ...
Extensive ab initio finite electric-field calculations are performed to study the static transverse ...
The development of computers and algorithms capable of making increasingly accurate and rapid calcu...
Texto completo: acesso restrito. p.1907–1911We apply first-principles calculations to investigate t...
The electronic structures of carbon (C) and boron nitride (BN) nanotubes under a transverse electric...
[[abstract]]The electronic structures of carbon (C) and boron nitride (BN) nanotubes under a transve...
The electro-optical modulation effect of a (10,0) boron nitride nanotube is investigated by first-pr...
The geometric structures, energetics and electronic properties of the recently discovered BN nanoco...
Conselho Nacional de Desenvolvimento Científico e TecnológicoIn this Thesis we investigate several p...
We have investigated, using first-principles calculations, the role of a substitutional carbon atom ...
We determine atomic and electronic structures of arm-chair and zigzag boron nitride nanotubes (BN-NT...
The electronic and structural properties of double-walled boron nitride (BN) nanotubes are studied u...
Abstract The effect of uni-axial strain on the electronic properties of (8,0) zigzag and (5,5) armch...
Electron-beam-mediated postsynthesis doping of boron-nitride nanostructures with carbon atoms [Natur...
The quest for novel two-dimensional materials has led to the discovery of hybrids where graphene and...
Geometrical and electronic structures of open-ended armchair and zigzag single-walled boron nitride ...
Extensive ab initio finite electric-field calculations are performed to study the static transverse ...
The development of computers and algorithms capable of making increasingly accurate and rapid calcu...