Wednesday, February 5, 2014

Abstract-Mechanotunable monatomic metal structures at graphene edges



Monatomic metal (e.g. silver) structures could form preferably at graphene edges. Their structural and electronic properties are explored here by performing density functional theory based first-principles calculations. The results show that cohesion between metal atoms and electronic coupling between metal atoms and graphene edges offer remarkable structural stability. Outstanding mechanical properties of graphene allow tunable properties of the metal monatomic structures by applying mechanical loads. Moreover, metal rings and helices can form at open ends of carbon nanotubes and edges of twisted graphene ribbons. These findings suggest the role of graphene edges as an efficient one-dimensional template for low-dimensional metal structures that are mechanotunable.

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