نتایج جستجو برای: boron nitrid nanotube

تعداد نتایج: 34349  

Now a day study on boron nitrid nanotubes are in considerable attetion due to their unique properties in different field of science. In this letter, after final optimization, thermodynamic properties analysis, stabilities, electronic structure and nuclear magnetic resonance parameters including σ isotropic and σ anisotropic tensors and asymmetric parameters of 15N and 11B nuclei are calculated....

Journal: :Journal of physics. Condensed matter : an Institute of Physics journal 2007
Ngamta Thamwattana James M Hill

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-...

2007
Takashi Koretsune Susumu Saito

Since the discovery of the superconductivity in boron-doped diamond [1], the carrier doping, especially boron doping in carbon materials attracts much attentions. For the carbon nanotube, however, the effect of boron doping as well as the possibility of the superconductivity [2] have not been well understood yet. Thus, we systematically study the boron-doped single-walled zigzag carbon nanotube...

ژورنال: :international journal of new chemistry 0

electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward (c3h4) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of methylacetylene (c3h4) the pristine nanotubes is a bout -1.78kcal/mol. but when nanotube have been doped with si and al atomes, the adsorption energy of methylacetyle...

ژورنال: :international journal of new chemistry 0

electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward hydroquinone (c6h4(oh)2) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g(d) level, and it was found that the adsorption energy (ead) of hydroquinone on the pristine nanotube is  a bout -7.77kcal/mol. but when nanotubes have been doped with si and al atomes, the adsorption energy of hy...

ژورنال: :international journal of new chemistry 0

abstract: electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward ethyl acetylene (c4h6) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. but when nanotube has been doped with si and al atoms, the adsorption energy ...

2014
Debra Bernhardt Kenneth Caster

Boron nitride nanotubes have been proposed as a suitable reinforcement for metal matrix composites. In order to be effective, the interaction between the metal and the nanotube needs to be strong while retaining the nanotube structure. Computational quantum chemistry was used to study interactions of aluminium and titanium metal clusters with boron nitride nanotubes. The effect of varying the r...

2009
Asadollah Boshra Mehran Aghaei

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...

ژورنال: :international journal of new chemistry 0

electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward aniline (c6h5nh2) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of aniline on the pristine nanotubes is a bout -19.03kcal/mol. but when nanotube has been doped with si and al atomes, the adsorption energy of aniline molecu...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید