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 (12)

• BN white graphene with `colorful' edges--the energies and morphology
• Why do nanotubes grow chiral?
• Breaking of symmetry in graphene growth on metal substrates
• New precision measurements of free neutron beta decay with cold neutrons
• Eliminating edge electronic and phonon states of phosphorene nanoribbon by unique edge reconstruction
• A Semi-Grand Canonical Kinetic Monte Carlo study of Single-Walled Carbon Nanotubes growth
• Non-Equilibrium Nature of Fracture Determines the Crack Paths
• A Planning-and-Exploring Approach to Extreme-Mechanics Force Fields
• Crystallographic orientation errors in mechanical exfoliation
• Strength of 2D Glasses Explored by Machine-Learning Force Fields
• Edge Dynamics in Iron-Cluster Catalyzed Growth of Single-Walled Carbon Nanotubes Revealed by Molecular Dynamics Simulations based on a Neural Network Potential
• On the edge energy of graphene