Year: 2010
Journal of Atomic and Molecular Sciences, Vol. 1 (2010), Iss. 1 : pp. 48–53
Abstract
A simple connection is established between aromaticity and overall stability of five-ring linear polyaromatic hydrocarbon oxyradicals. A chemically intuitive model is developed that exhibits a linear trend between an inexpensive geometric measure of aromaticity and the energetic stability of a model graphene edge with oxygen at different positions. It is believed to be an important step in establishing reaction pathways of soot and graphene oxidation.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.011310.012010a
Journal of Atomic and Molecular Sciences, Vol. 1 (2010), Iss. 1 : pp. 48–53
Published online: 2010-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 6
Keywords: graphene edge polyaromatic hydrocarbons oxidation aromaticity.