4.6 Article

Graphene: A perfect nanoballoon

Journal

APPLIED PHYSICS LETTERS
Volume 93, Issue 19, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.3021413

Keywords

ab initio calculations; carbon; density functional theory; monolayers; nanostructured materials; vacancies (crystal)

Funding

  1. Flemish Science Foundation (FWO-Vl)
  2. Belgian Science Policy (IAP)

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We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not have a strong influence on the height of the energy barriers for penetration. For defective graphene layers, the penetration barriers decrease exponentially with the size of the defects but they are still sufficiently high that very large defects are needed to make the graphene sheet permeable for small atoms and molecules. This makes graphene a very promising material for the construction of nanocages and nanomembranes.

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