This study focuses on hexagonal boron nitride as an ultra-thin van der Waals dielectric substrate for the epitaxial growth of highly ordered crystalline networks of the organic semiconductor parahexaphenyl. Atomic force microscopy based morphology analysis combined with density functional theory simulations reveal their epitaxial relation. As a consequence, needle-like crystallites of parahexap...

The first molecular dynamics (MD) study was conducted to explore mechanical-failure response of ultrafine grained single-layer boron-nitride films. We used MD simulations to construct relatively large molecular models of polycrystalline structures with random grain configurations. By applying uniaxial tensile loading, we then studied the grain size effect on the mechanical response of polycryst...

We measured firstand second-order Raman scattering in cubic and hexagonal boron nitride using excitation energies in the visible and in the UV. The nonresonant first-order Raman susceptibilities for cubic and hexagonal BN are 1 and 10 Å2, respectively. Raman scattering is thus very powerful in detecting the hexagonal phase in mixed thin boron nitride films. In cubic BN the constant Raman sucsep...

* Presented as Paper IEPC-01-39 at the 27 International Electric Propulsion Conference, Pasadena, CA, 15-19 October 2001. † Copyright © 2001 by Stanford University. Published by the Electric Rocket Propulsion Society with permission. A preliminary assessment of the sputter resistance of polycrystalline diamond plates against xenon ion bombardment is reported, and first studies of integrating di...

Single-walled boron nitride nanotubes are chosen as model reactants, and (10,0) and (6,6) are chosen as representatives of armchair and zigzag nanotubes, respectively, to study the interaction of carbenes of the type :CX2. It is found that, contrary to the case of carbon nanotubes, boron nitride tubes, particularly armchair BNNTs, do not show a propensity for cyclopropane ring formation. The SW...

: 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...

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 ...

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...