Computer models of icosahedral carbon nanostructures (shungite)

Abstract

A universal algorithm for the generation of three-dimensional models of icosahedral fullerene-like carbon nanostructures has been developed. Coordinates of atoms on their surface are calculated and three-dimensional models of fulleroids – nested icosahedra – are built. A flat model consisting of five graphite layers of varying diameters is computed in an attempt to explain the nature of the diffraction maximum (d≃ 6.81 Å, 2θ ≃ 13°) in shungite carbon by the existence of edge effects, carbon atoms or small fragments of layers in the interlayer space, or dislocation rings.