Structure and energetics of single and multilayer fullerene cages
- 17 May 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 70 (20) , 3023-3026
- https://doi.org/10.1103/physrevlett.70.3023
Abstract
Minimum energy structures for large carbon cages are investigated using realistic atomic potentials. Above a critical size of ∼6000 there is a stability crossover from single to multilayer cages. The lowest energy atomic configuration of a cage of any size consists only of hexagons and pentagons and is polyhedral in shape. Lowest energy defects involve either rearrangements between pentagons and hexagons or 5-7-5 triplets. Simulated transmission electron microscopy images show that a polyhedral onion appears spheroidal when viewed along its highest symmetry axis, and polyhedral when viewed from a more general direction.This publication has 38 references indexed in Scilit:
- Growth model for carbon nanotubesPhysical Review Letters, 1992
- Carbon onions introduce new flavour to fullerene studiesNature, 1992
- Large-scale synthesis of carbon nanotubesNature, 1992
- On the way to fullerenes: molecular dynamics study of the curling and closure of graphitic ribbonsThe Journal of Physical Chemistry, 1992
- NMR characterization of isomers of C78, C82 and C84 fullerenesNature, 1992
- Helical microtubules of graphitic carbonNature, 1991
- Isolation of C76, a chiral (D2) allotrope of carbonNature, 1991
- The Higher Fullerenes: Isolation and Characterization of C 76 , C 84 , C 90 , C 94 , and C 70 O, an Oxide of D 5h -C 70Science, 1991
- Solid C60: a new form of carbonNature, 1990
- Reactivity of large carbon clusters: spheroidal carbon shells and their possible relevance to the formation and morphology of sootThe Journal of Physical Chemistry, 1986