نتایج جستجو برای: boron nitride nanocage b12n12

تعداد نتایج: 28823  

2012
James P Hague

: A theory is presented for the modification of bandgaps in atomically thin boron nitride (BN) by attractive interactions mediated through phonons in a polarizable substrate, or in the BN plane. Gap equations are solved, and gap enhancements are found to range up to 70% for dimensionless electron-phonon coupling λ =1, indicating that a proportion of the measured BN bandgap may have a phonon ori...

2011
Shin-Pon Ju Yao-Chun Wang Ting-Wei Lien

The effect of uni-axial strain on the electronic properties of (8,0) zigzag and (5,5) armchair boron nitride nanotubes (BNNT) is addressed by density functional theory calculation. The stress-strain profiles indicate that these two BNNTS of differing types display very similar mechanical properties, but there are variations in HOMO-LUMO gaps at different strains, indicating that the electronic ...

2017
Nadiim Domun Keith R Paton Homayoun Hadavinia Toby Sainsbury Tao Zhang Hibaaq Mohamud

In this work the fracture toughness of epoxy resin has been improved through the addition of low loading of single part and hybrid nanofiller materials. Functionalised multi-walled carbon nanotubes (f-MWCNTs) was used as single filler, increased the critical strain energy release rate, GIC, by 57% compared to the neat epoxy, at only 0.1 wt% filler content. Importantly, no degradation in the ten...

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 ...

Journal: :international journal of nano dimension 0
mahmoud mirzaei bioinformatics research center, department of medicinal chemistry, school of pharmacy and pharmaceutical sciences, isfahan university of medical sciences, isfahan, iran.سازمان اصلی تایید شده: دانشگاه علوم پزشکی اصفهان (isfahan university of medical sciences) rahman salamat ahangari department of chemistry, faculty of basic sciences, azarbaijan shahid madani university, tabriz, iran.سازمان اصلی تایید شده: دانشگاه شهید مدنی (azarbaijan shahid madani university)

stabilizations and atomic level quadrupole coupling constant (cq) properties have been investigated for graphene–like monolayers (g–monolayers) of boron nitride (bn), boron phosphide (bp), aluminum nitride (aln), and aluminum phosphide (alp) structures. to this aim, density functional theory (dft) calculations have been performed to optimize the model structures and also to evaluate the cq para...

2013
S. Majety J. Li W. P. Zhao B. Huang S. H. Wei J. Y. Lin H. X. Jiang

2004
Hangsheng Yang Toyonobu Yoshida

Chemical species in plasma are crucial for understanding the mechanism of cubic boron nitride film vapor phase deposition and controlling the film structure. In this study, the plasma condition for cubic boron nitride deposition by low-pressure inductively coupled plasmaenhanced chemical vapor deposition using B2H6, N2, and Ar as reactant gases has been diagnosed by a quadrupole mass spectromet...

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