نتایج جستجو برای: boron nitride cage

تعداد نتایج: 42349  

2017
Shasha Li Yue Chen

Thermal transport and phonon-phonon coupling in monolayer hexagonal boron nitride (h-BN) under equibiaxial strains are investigated from first principles. Phonon spectra at elevated temperatures have been calculated from perturbation theory using the third-order anharmonic force constants. The stiffening of the out-of-plane transverse acoustic mode (ZA) near the Brillouin zone center and the in...

Journal: :Physical chemistry chemical physics : PCCP 2012
Yu Zhao Xiaojun Wu Jinlong Yang Xiao Cheng Zeng

Two-dimensional (2D) hexagonal boron-nitride oxide (h-BNO) is a structural analogue of graphene oxide. Motivated by recent experimental studies of graphene oxide, we have investigated the chemical oxidation of 2D h-BN sheet and the associated electronic properties of h-BNO. Particular emphasis has been placed on the most favorable site(s) for chemisorption of atomic oxygen, and on the migration...

Journal: :journal of computational applied mechanics 0
ali ghorbanpour arani 1. institute of nanoscience & nanotechnology, university of kashan, iran 2. department of mechanical engineering, university of kashan, iran elham haghparast department of mechanical engineering, university of kashan, iran zahra khoddami maraghi department of mechanical engineering, university of kashan, iran

in the present research, nonlinear vibration in a coupled system of boron-nitride nano-tube reinforced composite (bnntrc) oil pipes is studied. single-walled boron-nitride nano-tubes (swbnnts) are arranged in a longitudinal direction inside poly-vinylidene fluoride (pvdf) matrix. damping and shearing effects of surrounded medium are taken into account by visco-pasternak model. based on piezoele...

1997
S Sánchez M Elwenspoek

Wafers with 1 μm LPCVD silicon-rich nitride layers have been successfully direct bonded to silicon-rich nitride and boron-doped silicon surfaces. A chemical–mechanical polishing treatment was necessary to reduce the surface roughness of the nitride before bonding. The measured surface energies of the room-temperature bond were comparable to values found for Si–Si hydrophilic bonding. A mechanis...

Asadollah Boshra Mehran Aghaie Mohammad Reza Gholami, Nasrin Zeighami,

The doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. The AM1, PM3, and PM6 semiempirical methods have been used toevaluate the thermochemistry of doping reactions of single walled boron nitride nanotubes andcarbon nanotubes. The enthalpy changes, Gibbs free energy changes, and entropy changes of studieddoping reactions were evalu...

2013
E. Franke Mathias Schubert T. E. Tiwald J. A. Woollam M. Schubert

Infrared ellipsometry on hexagonal and cubic boron nitride thin films" (1997).

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...

Journal: :journal of physical & theoretical chemistry 2010
mahmoud mirzaei

the electronic and structural properties of pristine and carbon doped (c-doped) boron nitride nano-ribbons(bnnrs) have been studied employing density functional theory (dft) calculations. total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated bnnrs. the results indicated that the stability and gap ...

2000
Rodney W. Trice John W. Halloran

A unique, all-ceramic material capable of nonbrittle fracture via crack deflection and delamination has been mechanically characterized from 25° through 1400°C. This material, fibrous monoliths, was comprised of unidirectionally aligned 250 mm diameter silicon nitride cells surrounded by 10 to 20 mm thick boron nitride cell boundaries. The average flexure strengths of fibrous monoliths were 510...

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