RT Journal Article
T1 Oxygen vacancies at Ni/c-ZrO2 interfaces
A1 Beltrán Fínez, Juan Ignacio
A1 Gallego, Silvia
A1 Cerdá, Jorge
A1 Muñoz, María del Carmen
AB The 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.
PB Elsevier
SN 0955-2219
YR 2003
FD 2003
LK https://hdl.handle.net/20.500.14352/93247
UL https://hdl.handle.net/20.500.14352/93247
LA eng
NO Beltrán, 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.
NO Ministerio de Ciencia e Innovación (España)
NO Comunidad de Madrid
DS Docta Complutense
RD 8 abr 2025