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Autocatalysis during fullerene growth

Eggen, BR, Heggie, MI, Jungnickel, G, Latham, CD, Jones, R and Briddon, PR (1996) Autocatalysis during fullerene growth Science, 272 (5258). pp. 87-89.

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Total energy calculations with a local spin density functional have been applied to the Stone-Wales transformation in fullerene (C60). In the formation of the almost exclusively observed Ih isomer of C60 with isolated pentagons, the final transformation must be from a C2v isomer with two pentagon pairs. It was found that the energy barrier for this rearrangement was substantially reduced in the presence of an extra carbon atom. Such atoms were found to bind loosely, preferentially to regions in which there were paired pentagons. Pentagon rearrangements, which are necessary steps in the growth of fullerenes, may therefore result from autocatalysis by carbon.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Eggen, BR
Jungnickel, G
Jones, R
Briddon, PR
Date : 5 April 1996
DOI : 10.1126/science.272.5258.87
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:37
Last Modified : 24 Jan 2020 22:33

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