%0 Journal Article
%A Sanchez-Paisal, Y.
%A Sanchez-Portal, D.
%A Garmendia, N.
%A Muoz, R.
%A Obieta, I.
%A Arbiol, J.
%A Calvo-Barrio, L.
%A Ayuela, A.
%T Zr-metal adhesion on graphenic nanostructures
%D 2008
%@ 0003-6951
%U https://hdl.handle.net/11556/3851
%X Our 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.
%~