Understanding graphitization: developing a model for activated carbons

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For over 60 years it has remained a puzzle why some carbons graphitise under heating while others do not. The question is of practical importance as oxidation of non-graphitising carbons produces activated carbon, a product of high value with industrial, medical and environmental applications. Using computational and experimental techniques the project will study the graphitisation process and pinpoint the structural elements which inhibit it. Based on these findings the project aims to develop a nanoscale atomistic model for activated carbons. This is expected to be an important contribution to the field of chemical engineering in which current models of activated carbon neglect either curvature in the network or the presence of oxygen.