RT Journal Article
T1 Internal Ceramic Reconstruction Weakens Metal−ZrO_2 adhesion
A1 Beltrán Fínez, Juan Ignacio
A1 Gallego, Silvia
A1 Cerdá, Jorge
A1 Moya, Serafín
A1 Muñoz, Carmen
AB The mechanisms that control at the quantum level the adhesion of metals to ZrO2 are studied on the basis of density functional theory calculations of the Ni/c-ZrO2 interface. Our results indicate that the interface fragility is inherently connected to the ability of the ceramic matrix to locally reconstruct from the stabilized cubic structure toward the more stable low temperature phases. We consider with special detail the impact on the metal−ceramic bonding of the O vacancies and dopants that actually exist in the oxide lattice. Whereas vacancies greatly reduce the adhesion, the presence of dopants of large atomic volume such as Y inhibit the reconstruction of the ceramic, reinforcing the metal−ceramic bonds.
PB American Chemical Society (ACS)
SN 1520-6106
YR 2004
FD 2004
LK https://hdl.handle.net/20.500.14352/91883
UL https://hdl.handle.net/20.500.14352/91883
LA eng
NO Beltrán, J.I., Gallego, S., Cerdá, J., Moya, J.S., Muñoz, M.C.: Internal Ceramic Reconstruction Weakens Metal−ZrO 2 Adhesion. J. Phys. Chem. B. 108, 15439-15442 (2004). https://doi.org/10.1021/jp047051t
NO Ministerio de Ciencia y Tecnología (España)
NO Consejo Superior de Investigaciones Científicas
DS Docta Complutense
RD 8 abr 2025