Topological Defects in Graphene: Dislocations and Grain Boundaries

Abstract

Topological defects in graphene, dislocations and grain boundaries, are still not well understood despites the considerable number of experimental observations. We introduce a general approach for constructing dislocations in graphene characterized by arbitrary Burgers vectors as well as grain boundaries, covering the whole range of possible misorientation angles. By using ab initio calculations we investigate thermodynamic and electronic properties of these topological defects, finding energetically favorable symmetric large-angle grain boundaries, strong tendency towards out-of-plane deformation in the small-angle regimes, and pronounced effects on the electronic structure. The present results show that dislocations and grain boundaries are important intrinsic defects in graphene which may be used for engineering graphene-based nanomaterials and functional devices.

7 pages, 8 figures, 1 table

References in corpus (9)

• The electronic properties of graphene
• Half-Metallic Graphene Nanoribbons
• Magnetism in Graphene Induced by Single-Atom Defects
• Emergence of magnetism in graphene materials and nanostructures
• Self-passivating edge reconstructions of graphene
• Magnetic Correlations at Graphene Edges
• Room-temperature ferromagnetism in graphite driven by 2D networks of point defects
• Magnetism in Disordered Graphene and Irradiated Graphite
• Dislocations in graphene

Cited by in corpus (9)

• Electronic transport in polycrystalline graphene
• Graphene valley filter using a line defect
• Cones, pringles, and grain boundary landscapes in graphene topology
• Grain Boundary Loops in Graphene
• Graphene: Piecing it together
• Electronic States of Graphene Grain Boundaries
• Transport properties of graphene with one-dimensional charge defects
• Domain (Grain) Boundaries and Evidence of Twin Like Structures in CVD Grown Graphene
• Ferromagnetism in lead graphite-pencils and magnetic composite with CoFe2O4 particles