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Energetics of fullerene isomer transformation

Eggen, BR, Latham, CD, Heggie, MI, Jones, R and Briddon, PR (1996) Energetics of fullerene isomer transformation Synthetic Metals, 77 (1–3). pp. 165-168.

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Stone-Wales transformations are thought to be the most likely route for fullerene isomer interconversion. Several prototype reactions are investigated using local density functional theory on C60Hm (m = 0, 1, 2) and C61 clusters. Transition state energies and geometries are calculated. Adding hydrogen or carbon atoms to C60 is found to catalyse the transformations.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Eggen, BR
Jones, R
Briddon, PR
Date : February 1996
DOI : 10.1016/0379-6779(96)80080-4
Related URLs :
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:37
Last Modified : 24 Jan 2020 22:33

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