Using the minima hopping global geometry optimization method on the density functional potential energy surface we show that the energy landscape of boron clusters is glasslike. Larger boron clusters have many structures which are lower in energy than the cages. This is in contrast to carbon and boron nitride systems which can be clearly identified as structure seekers. The differences in the p...

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Diamond and cubic boron nitride (c-BN) are the top two hardest materials on the Earth. Clarifying how the two seemingly incompressible materials can actually join represents one of the most challenging issues in materials science. Here we apply the temperature gradient method to grow the c-BN single crystals on diamond and report a successful epitaxial growth. By transmission electron microscop...

In this work we study relative stability, structural and electronic properties of pure BN and with substitutions of carbon by boron and nitrogen atoms, e.i. for B0.9375C0.0625N and BC0.0625N0.9375, respectively. Using first-principles calculations in the Density Functional Theory (DFT), we found that it is more energetically favourable that the carbon atoms occupy the positions of the boron ato...

an efficient method for purification of yard-glass shaped boron nitride nanotubes (yg-bnnts) fabricated via a chemical vapour reaction (cvr) route has been developed. impurities including carbon, boron nitride (bn), and fe species in the pristine yg-bnnt sample are removed by a combined physical and chemical procedure which involves ultrasonication, high temperature oxidation, hot-water washing...