Interfacial interactions and dispersion relations in carbon-aluminium nanocomposite systems

Woong Lee, Soonmin Jang, Min Jun Kim, Jae Min Myoung

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The interactions between a graphene sheet and an aluminium (111) layer in carbon-aluminium nanocomposite systems were investigated for various interfacial configurations using an ab initio simulation based on density functional theory. Dispersion relations and electron density distributions obtained for various interface registries suggest that the bond strength of the graphene/Al nanocomposite interface can be controlled by the introduction of compressive in-plane strain and/or by the removal of some atomic rows along specific crystallographic directions in the Al(111) layer. Such changes in the interfacial strength accompanied the evolution of C-Al interaction from weak secondary type to partially covalent type with successive removal of Al atom rows until the state of an 'effectively isolated' Al atom is reached. The application of the present simulation results to the selection of suitable material processing was also addressed.

Original languageEnglish
Article number285701
JournalNanotechnology
Volume19
Issue number28
DOIs
Publication statusPublished - 2008 Jul 16

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Aluminum
Graphene
Nanocomposites
Carbon
Atoms
Electronic density of states
Density functional theory
Processing
Direction compound

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Electrical and Electronic Engineering

Cite this

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Interfacial interactions and dispersion relations in carbon-aluminium nanocomposite systems. / Lee, Woong; Jang, Soonmin; Kim, Min Jun; Myoung, Jae Min.

In: Nanotechnology, Vol. 19, No. 28, 285701, 16.07.2008.

Research output: Contribution to journalArticle

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