نتایج جستجو برای: boron nitride cage
تعداد نتایج: 42349 فیلتر نتایج به سال:
This Research Article reports on the enhancement of the thermal transport properties of nanocomposite materials containing hexagonal boron nitride in poly(vinyl alcohol) through room-temperature atmospheric pressure direct-current microplasma processing. Results show that the microplasma treatment leads to exfoliation of the hexagonal boron nitride in isopropyl alcohol, reducing the number of s...
Continuum based models are presented here for certain boron nitride and carbon nanostructures. In particular, certain fullerene interactions, C(60)-C(60), B(36)N(36)-B(36)N(36) and C(60)-B(36)N(36), and fullerene-nanotube oscillator interactions, C(60)-boron nitride nanotube, C(60)-carbon nanotube, B(36)N(36)-boron nitride nanotube and B(36)N(36)-carbon nanotube, are studied using the Lennard-...
The neutron collision cross-section is important in neutron use for a specific job, such as neutron therapy or even in nuclear reactors. In calculating computational codes such as MCNP, only information from the neutron-to-mass collision information contained in the computational code library is used, in the case of nanoscale particles in contrast to the mass of materials and / or particulate m...
In this study the reaction of the derivative , material [1,5-b] tetrazolo [1,2,4] Terry inflorescences (TTA) with boron nitride nano- cages in different conditions of temperature , density functional theory methods were studied . For this purpose, the material on both sides were geometrically optimized reaction , then the calculation of the thermodynamic parameters were performed on all of th...
We report results from cathodoluminescence spectroscopy of boron nitride films grown on Si(100) substrates by ion-source-assisted magnetron sputtering of a hexagonal BN target. Three main peaks are observed in the near-band-gap region for hexagonal boron nitride films at energies of 4.90,5.31, and 5.50 eV We also report deep-level emission spectra of predominantly cubic boron nitride films whic...
The geometry, electronic, and structural properties of an unusually stable boron cage made of 80 boron atoms are studied, using ab initio calculations. The shape of this cluster is very similar to that of the well-known C60 fullerene, but in the B80 case, there is an additional atom in the center of each hexagon. The resulting cage preserves the Ih symmetry, has a relatively large highest occup...
A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at B and N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and esp...
Liquids condensing on solids can form a pattern known as ‘‘breath figures.’’ Here we report similar patterns for liquid boron oxide droplets formed by high temperature oxidation reaction of boron nitride. Boron oxide does not wet boron nitride, so the liquid B2O3 oxide forms small droplets. As oxidation proceeds at 12001C, the oxide created by reaction on the surface migrates to existing drople...
Using the minima hopping global geometry optimization method on the density functional potential energy surface we show that the energy landscape of boron clusters is glasslike. Larger boron clusters have many structures which are lower in energy than the cages. This is in contrast to carbon and boron nitride systems which can be clearly identified as structure seekers. The differences in the p...
A comparison between experimental and theoretical electron Energy Loss Near Edge Structure (ELNES) of B and N K-edges in cubic boron nitride is presented. The electron energy loss spectra of cubic boron nitride particles were measured using a scanning transmission electron microscope. The theoretical calculation of the ELNES was performed within the framework of density functional theory includ...
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