Abstract
The elastic interaction energy between two oxygen atoms deposited on a graphite basal plane is calculated by atomic ab initio simulations and continuum theory of elasticity. The comparison between the results obtained with the two different methods, despite their usual length scale domain of application, is very good; attractive and repulsive behaviors are found. We speculate that this type of interaction could play an important role in the rearrangement of oxygen atoms experimentally observed after a weak oxidation of a graphite surface.
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