Formation and Stability of Cellular Carbon Foam Structures:An {\em Ab Initio} Study

Abstract

We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $s{p}^2/s{p}^3$ bonding character may be viewed as bundles of carbon nanotubes fused to a rigid contiguous 3D honeycomb structure that can be compressed more easily by reducing the symmetry of the honeycombs. The foam may accommodate the same type of defects as graphene, and its surface may be be stabilized by terminating caps. We postulate that the foam may form under non-equilibrium conditions near grain boundaries of a carbon-saturated metal surface.

References in corpus (2)

• Electric Field Effect in Atomically Thin Carbon Films
• Graphene Nucleation on Transition Metal Surface: Structure Transformation and Role of the Metal Step Edge

Cited by in corpus (5)

• Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study
• A Class of topological nodal rings and its realization in carbon networks
• Electron and phonon properties and gas storage in carbon honeycomb
• Topologically protected conduction state at carbon foam surfaces:An ab-initio study
• Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6