Sanchez-Paisal, Y.Sanchez-Portal, D.Garmendia, N.Muoz, R.Obieta, I.Arbiol, J.Calvo-Barrio, L.Ayuela, A.2024-07-242024-07-242008Sanchez-Paisal , Y , Sanchez-Portal , D , Garmendia , N , Muoz , R , Obieta , I , Arbiol , J , Calvo-Barrio , L & Ayuela , A 2008 , ' Zr-metal adhesion on graphenic nanostructures ' , Applied Physics Letters , vol. 93 , no. 5 , 053101 . https://doi.org/10.1063/1.29663730003-6951https://hdl.handle.net/11556/3851Our 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.enginfo:eu-repo/semantics/openAccessjournal article10.1063/1.2966373Physics and Astronomy (miscellaneous)http://www.scopus.com/inward/record.url?scp=51849164491&partnerID=8YFLogxK