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Large basis set local-density-functional calculations on fullerenes, graphene and graphite suggest that fullerene stability increases monotonically with the number of carbon atoms (N), and is nearly linear in 1/N. is less stable energetically than and higher fullerenes, despite the apparent preference for in nature. The heat of formation found here for relative to graphite is in good agreement with experiment, while the heat of formation for graphene relative to graphite is overestimated by a factor of two.
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Dunlap et al. (1996) studied this question.
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