Graphene edge from A to Z - and the origins of nanotube chirality

Abstract

The energy of arbitrary graphene edge is derived in analytical form. It contains a "chemical phase shift", determined by the chemical conditions at the edge. Direct atomistic computations support the universal nature of the relationship. Definitive for graphene formation, shapes of the voids or ribbons, this has further important implications for nanotube chirality selection and control by chemical means, at the nucleation stage.

12 pages, 3 figures

References in corpus (3)

• Half-Metallic Graphene Nanoribbons
• Self-passivating edge reconstructions of graphene
• Effect of Metal Element in Catalytic Growth of Carbon Nanotubes

Cited by in corpus (1)

• BN white graphene with `colorful' edges--the energies and morphology