Journal
FARADAY DISCUSSIONS
Volume 119, Issue -, Pages 385-394Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b102063n
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A considerable amount of research has been directed towards the mechanism of oxidation of graphite as a model reaction system and because of its industrial importance. A number of recent studies have been concerned with ab initio molecular orbital calculations on graphite including model chemistry and the reactions with molecular oxygen. This study is concerned with oxidation steps involving the attachment of molecular oxygen to the graphene, the formation of carbon monoxide and, in particular, the subsequent oxidation reactions.
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