The effect of defect complexes on the stability, structural and electronic properties of single-walled carbon nanotubes and boron nitride nanotubes is investigated using the ab initio pseudopotential density functional method implemented in the Castep code. We found more substantial atomic relaxations in the zig-zag carbon nanotube than the armchair one. We find that the B(C)B(c) defect introdu...

We have demonstrated near-edge X-ray absorption fine structure (NEXAFS) spectroscopy as a particularly useful and effective technique for simultaneously probing the surface chemistry, surface molecular orientation, degree of order, and electronic structure of carbon nanotubes and related nanomaterials. Specifically, we employ NEXAFS in the study of single-walled carbon nanotube and multi-walled...

The use of 0.6 vol.% single-walled carbon nanotubes in a poly(ethylene glycol)based dispersion gave a thermal paste that was as effective as solder for improving thermal contacts. A thermal contact conductance of 20 · 10 W m K was attained. An excessive amount of nanotubes (e.g. 1.8 vol.%) degraded the performance, because of conformability loss. The nanotubes were more effective than hexagonal...

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Spatially resolved electron energy loss spectroscopy experiments have been performed in an electron microscope on several individual boron nitride (BN) single-, double-, and triple-walled nanotubes, whose diameters and number of shells have been carefully measured. In the low-loss region (from 2 to 50 eV) the spectra have been analyzed within the framework of the continuum dielectric theory, le...

Using the spectral moments method, we present calculations of Raman active modes of Single Walled Boron Nitride Nanotube (SW-BNNT). The Spectra are computed for chiral and achiral nanotubes in terms of their diameter and length. The behaviors of low frequency Raman active modes characteristic, in terms of the tube diameter revealed that these frequencies are diameter dependent. We show that the...

We have imaged boron nitride nanotubes with atomic scale resolution using scanning tunneling microscopy. While some nanotubes show the expected triangular lattice pattern, the majority of the nanotubes show unusual stripe patterns which break the underlying symmetry of the boron nitride lattice. We identify the origin of the symmetry breaking and demonstrate that conventional STM imaging analys...

A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture wel...