1. Preservation of C hexagons in the transformation of C allotropes.
- Author
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Bucknum, Michael and Castro, Eduardo
- Subjects
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CARBON , *HEXAGONS , *TRANSFORMATION groups , *PARTICLE swarm optimization , *NANOTUBES , *ACENES - Abstract
Theoretical work by Zhao et al. in (ACS Nano Lett 266(5):7226-7234, ) employing a novel 'particle swarm methodology' has predicted the pressure-induced collapse of various, respective 1-dimensional members of the (n, 0) C nanotube family, into their corresponding 3-dimensional network C patterns realized as the various C-based hexagonites. In particular, the so-called (6, 0) nanotubes, in which the circumference of this nanotube type is comprised of a polyacene-like belt of six benzene-like tiles, is predicted by Zhao et al. to spontaneously collapse with extreme pressure in to the parent member of the C-based hexagonite family of lattices. This prediction is supported by an independent theoretical analysis of crystallographic data obtained in a synchrotron-nanotube experiment conducted in a diamond anvil cell in 2005 by Wang et al. Such nanotube-hexagonite phase transformations of C, are termed here as 'hexagon-preserving-carbon-allotrope-transformations', as the hexagonal C rings are preserved in the C phase transformations. By analogy, the classical phase transformation of C-based graphene to C-based diamond is described as a 'hexagon-preserving-carbon-allotrope-transformation'. The details of these descriptive labels are discussed in this communication. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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