منابع مشابه
Electron states in boron nitride nanocones
We apply first-principles calculations to study the electronic structure of boron nitride nanocones with disclinations of different angles θ = nπ/3. Nanocones with odd values of n present antiphase boundaries that cause a reduction of the work function of the nanocones, relative to the bulk BN value, by as much as 2 eV. In contrast, nanocones with even values of n do not have such defects and p...
متن کاملNested boron nitride and carbon-boron nitride nanocones
In this letter we extend previously established results for nested carbon nanocones to both nested boron nitride and carbon-boron nitride nanocones. Based purely on mechanical principles and classical mathematical modelling techniques, we determine the energetically favourable structures for nested boron nitride and carbon-boron nitride nanocones. While only three apex angles for boron nitride ...
متن کاملComputational studies of carbon decorated boron nitride nanocones
Density functional theory ,(DFT) calculations have been performed to investigate the properties ofcarbon decorated (C-decorated) models of boron nitride (BN) nanocones. To this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the C-decorated models. Theresults indicated that dipole moments and energy gaps could reveal the effects of C-decorations onthe pro...
متن کاملcomputational studies of carbon decorated boron nitride nanocones
density functional theory ,(dft) calculations have been performed to investigate the properties ofcarbon decorated (c-decorated) models of boron nitride (bn) nanocones. to this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the c-decorated models. theresults indicated that dipole moments and energy gaps could reveal the effects of c-decorations onthe pro...
متن کاملElectronic and structural properties of two mirrored boron-nitride nanocones with 240o disclination
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 240Å disclination angles and separated from each other from 2Å, 3Å and 10Å under the influence of an external electric field ranging from 0.5 V/Å to 1.1 V/Å applied along the axis. Changes ...
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ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2003
ISSN: 0003-6951,1077-3118
DOI: 10.1063/1.1565701