• 文献标题:   Graphene: A perfect nanoballoon
  • 文献类型:   Article
  • 作  者:   LEENAERTS O, PARTOENS B, PEETERS FM
  • 作者关键词:   ab initio calculation, carbon, density functional theory, monolayer, nanostructured material, vacancies crystal
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Univ Antwerp
  • 被引频次:   222
  • DOI:   10.1063/1.3021413
  • 出版年:   2008

▎ 摘  要

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.