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The deformation and disintegration of a graphene nanoribbon under externalelectrostatic fields are investigated by first principle quantum mechanicalcalculations to establish its stability range. The zigzag edges terminated byvarious functional groups are considered. By analyzing the phonon spectrum, thecritical fracture field for each edge structure is obtained. It is found thatdifferent terminal groups on the zigzag graphene nanoribbons lead to differentfracture patterns at different fracture fields. The failure mechanism isdemonstrated to rely on both the carbon bond alternation feature across theribbon and terminal group electronegativity.

Disintegration of graphene nanoribbons in large electrostatic fields