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Computer models of icosahedral carbon nanostructures (shungite)
Author(s) -
Pleshakov Victor
Publication year - 2014
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576713033943
Subject(s) - icosahedral symmetry , graphite , carbon fibers , fullerene , nanostructure , materials science , space (punctuation) , enhanced data rates for gsm evolution , chemical physics , dislocation , diffraction , crystallography , molecular physics , nanotechnology , chemistry , physics , optics , composite material , computer science , telecommunications , organic chemistry , composite number , operating system
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.