Self-passivating edge reconstructions of graphene

Abstract

Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place at room temperature. The reconstruction changes electronic structure and self-passivates the edge with respect to adsorption of atomic hydrogen from molecular atmosphere.

4 pages, 4 figures, 1 table

References in corpus (3)

• The structure of suspended graphene sheets
• The unique chemical reactivity of a graphene nanoribbon's zigzag edge
• Edge state on hydrogen-terminated graphite edges investigated by scanning tunneling microscopy

Cited by in corpus (8)

• Density-functional tight-binding for beginners
• From Graphene constrictions to single carbon chains
• Band-Selective Filter in a Zigzag Graphene Nanoribbon
• Atomistic simulations of the sliding friction of graphene flakes
• Chemically-induced Mobility Gaps in Graphene Nanoribbons: A Route for Upscaling Device Performances
• Gold in graphene: in-plane adsorption and diffusion
• Edge states interferometry and spin rotations in zigzag graphene nanoribbons
• Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges