Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges

Abstract

Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from the emergence of high-energy vibrational mode due to strong triple bonds at the edges. This mode is visible also in the Raman spectrum. Total vibrational density of states of the reconstructed zigzag edge is observed to resemble the vibrational density of states of armchair, rather than zigzag, graphene nanoribbon. Edge-related vibrational states increase in energy which corroborates increased ridigity of the reconstructed zigzag edge.

4 pages, 4 figures

References in corpus (6)

• Self-passivating edge reconstructions of graphene
• The unique chemical reactivity of a graphene nanoribbon's zigzag edge
• Edge state on hydrogen-terminated graphite edges investigated by scanning tunneling microscopy
• Effect of edge roughness in graphene nanoribbon transistors
• Raman modes of the deformed single-wall carbon nanotubes
• Effects of Bending on Raman-active Vibration Modes of Carbon Nanotubes

Cited by in corpus (1)

• Atomistic investigation of low-field mobility in graphene nanoribbons