The Interaction of Bromide Ions with Graphitic Materials

The detailed interactions between hydrated bromine ions and a number of graphene-like surfaces are elucidated for the first time. A common edge site that exhibits preferential binding of bromide is observed for all materials. The local structure around the hydrated bromide in this interaction region is that of the ion binding to a zigzag, convex site on the graphene sheet edge, consistent with predictions of a recent theoretical model.