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Zr-metal adhesion on graphenic nanostructures

AuthorsSánchez-Paisal, Yon; Sánchez-Portal, Daniel ; Garmendia, N.; Obieta, I.; Arbiol, J.; Calvo-Barrio, L.; Ayuela, Andrés
KeywordsAb initio calculations
Bonds (chemical)
Carbon nanotubes
Charge exchange
Electron energy loss spectra
Transmission electron microscopy
Issue Date4-Aug-2008
PublisherAmerican Institute of Physics
CitationAppl. Phys. Lett. 93(5): 053101 (2008)
AbstractOur high resolution transmission electronic microscopy studies of multiwall carbon nanotubes show, after the growth of zirconia nanoparticles by a hydrothermal route, the presence of surface Zr, forming an atomically thin layer. Using first-principles calculations we investigate the nature of the Zr–C interaction, which is neither ionic nor covalent, and the optimal coverage for the Zr metal in a graphene flake. This preferred coverage is in agreement with that deduced from electron energy loss spectra experiments. We show also that the amount of charge transferred to the C layer saturates as the Zr coverage increases and the Zr–C bond becomes weaker.
Description3 pages, 3 figures.-- PACS nrs.: 68.35.Np, 61.46.Fg, 61.46.Df.
Publisher version (URL)http://dx.doi.org/10.1063/1.2966373
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