Structural Deformation of Graphene--Nanotube Contacts: First-Principles Simulations

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概要

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• By using first-principles simulations, we studied the geometry deformation of few-layer graphene and single-walled carbon nanotube (SWNT) contact. With SWNT on the graphene, the graphene interlayer spacing reduces. Moreover, there is a dip appears in the topmost graphene layer due to the interaction with SWNT. The depth of this dip increases with SWNT diameter. And geometry deformation is also observed in thin SWNT. We demonstrate that even for very thin SWNT, the geometry deformation and flexibility of both graphene layer and SWNT cannot be ignored, which will lead to atomic scale locking of the nanotube on graphene. Thus the contact between SWNT and graphene is more stable than expected.

• 2013-03-25

著者

• Zhang Gang

  Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871, China

• Zhang Gang

  Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871, People's Republic of China

• Ma Wanli

  Key Laboratory for the Physics and Chemistry of Nanodevices and Department of Electronics, Peking University, Beijing 100871, People's Republic of China

関連論文

• Erratum: ``Spontaneous Polygonization of Multiwalled Carbon Nanotubes: Perturbation Analysis''
• Structural Deformation of Graphene--Nanotube Contacts: First-Principles Simulations

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