Formation and Stability of Cellular Carbon Foam Structures: An Ab Initio Study

Zhen Zhu and David Tománek
Phys. Rev. Lett. 109, 135501 – Published 25 September 2012
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Abstract

We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foamlike carbon nanostructures. These systems with a mixed sp2/sp3 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 stabilized by terminating caps. We postulate that the foam may form under nonequilibrium conditions near grain boundaries of a carbon-saturated metal surface.

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  • Received 22 May 2012

DOI:https://doi.org/10.1103/PhysRevLett.109.135501

© 2012 American Physical Society

Authors & Affiliations

Zhen Zhu and David Tománek*

  • Physics and Astronomy Department, Michigan State University, East Lansing, Michigan 48824, USA

  • *tomanek@pa.msu.edu

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Issue

Vol. 109, Iss. 13 — 28 September 2012

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