RT Journal Article T1 Zr-metal adhesion on graphenic nanostructures A1 Sanchez-Paisal, Y. A1 Sanchez-Portal, D. A1 Garmendia, N. A1 Muoz, R. A1 Obieta, I. A1 Arbiol, J. A1 Calvo-Barrio, L. A1 Ayuela, A. AB 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. SN 0003-6951 YR 2008 FD 2008 LK https://hdl.handle.net/11556/3851 UL https://hdl.handle.net/11556/3851 LA eng NO Sanchez-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/10.1063/1.2966373 NO We want to acknowledge the support by the ETORTEK (NANOMAT) program of the Basque government, the Intramural Special Project (Reference No. 2006601242), the Spanish Ministerio de Ciencia y TecnologĂ­a (MCyT) of Spain (Grant No. Fis 2007-66711-C02-C01), and the European Network of Excellence NANOQUANTA (NM4-CT-2004-500198). Y.S.P. gratefully acknowledges his DIPC grant. DS TECNALIA Publications RD 29 jul 2024