Beltrán Fínez, Juan IgnacioGallego, SilviaCerdá, JorgeMuñoz, María del Carmen2024-01-162024-01-162003Beltrán, J. I., et al. «Oxygen Vacancies at Ni/c-ZrO2 Interfaces». Journal of the European Ceramic Society, vol. 23, n.o 15, enero de 2003, pp. 2737-40. https://doi.org/10.1016/S0955-2219(03)00284-X.0955-221910.1016/s0955-2219(03)00284-xhttps://hdl.handle.net/20.500.14352/93247The interaction between Ni(001) and cubic-ZrO2(001) surfaces is investigated, focusing on the role of the O vacancies that actually exist in the c-ZrO2 phase stabilized at room temperature. Ab-initio calculations of the electronic charge distribution are performed, allowing full relaxation of the atomic positions. The results indicate a weakening of the Ni–O interactions at the interface, in favour of a change of the Zr–O coordination to adopt configurations closer to the stable low temperature phases.engjournal articlehttps://doi.org/10.1016/s0955-2219(03)00284-xhttps://www.sciencedirect.com/science/article/pii/S095522190300284Xrestricted access537CompositesDefectsElectronic propertiesInterfacesZrO2Electrónica (Física)2203 Electrónica