TY - JOUR
T1 - Mechanical, tribological and electrochemical behavior of Zr-based ceramic thin films for dental implants
AU - Zambrano, D. F.
AU - Hernández-Bravo, R.
AU - Ruden, A.
AU - Espinosa-Arbelaez, D. G.
AU - González-Carmona, J. M.
AU - Mujica, V.
N1 - Funding Information:
Raiza Hernández-Bravo and Juan Manuel Gonzalez Carmona thanks to Dirección de Cátedras CONACyT (grant numbers 297265 and 296384 ) for the financial support granted during the elaboration of this manuscript.
Publisher Copyright:
© 2022 Elsevier Ltd and Techna Group S.r.l.
PY - 2023/1/15
Y1 - 2023/1/15
N2 - To determine the possibility of using new thin films architectures as biocompatible materials, an experimental and computational study was performed to evaluate the mechanical, tribological, and corrosion properties in simulated physiological media (saliva and blood plasma) of Zr, ZrN, and ZrN/Zr coatings, deposited by PVD magnetron sputtering. The crystalline structure and chemical composition were well correlated with high resistance to plastic deformation, wear, and corrosion, making these materials excellent candidates for functionalizing and protecting dental prostheses. The predominant wear mechanism under consideration was abrasion, which was reduced when using ceramic ZrN coating as a base for the superficial Zr thin film. When exposed to simulated body fluids, these materials exhibited high corrosion resistance, which was demonstrated by potentiodynamic measurements. These results are consistent with those predicted by Density Functional Theory computational models, which showed that electron transfer associated with the wear mechanism is kinetically impeded, as a consequence of the large energy barriers for this process associated with the adsorption of the molecular species on the ZrN surface. Additionally, calculated adsorption energies indicated that urea (from the simulated saliva solution) interacts strongly with the surface. This interaction was associated to the formation of passivating protective layers, which is a key mechanism to protect against corrosion, acting in synergy with the kinetic barriers.
AB - To determine the possibility of using new thin films architectures as biocompatible materials, an experimental and computational study was performed to evaluate the mechanical, tribological, and corrosion properties in simulated physiological media (saliva and blood plasma) of Zr, ZrN, and ZrN/Zr coatings, deposited by PVD magnetron sputtering. The crystalline structure and chemical composition were well correlated with high resistance to plastic deformation, wear, and corrosion, making these materials excellent candidates for functionalizing and protecting dental prostheses. The predominant wear mechanism under consideration was abrasion, which was reduced when using ceramic ZrN coating as a base for the superficial Zr thin film. When exposed to simulated body fluids, these materials exhibited high corrosion resistance, which was demonstrated by potentiodynamic measurements. These results are consistent with those predicted by Density Functional Theory computational models, which showed that electron transfer associated with the wear mechanism is kinetically impeded, as a consequence of the large energy barriers for this process associated with the adsorption of the molecular species on the ZrN surface. Additionally, calculated adsorption energies indicated that urea (from the simulated saliva solution) interacts strongly with the surface. This interaction was associated to the formation of passivating protective layers, which is a key mechanism to protect against corrosion, acting in synergy with the kinetic barriers.
KW - Artificial physiological fluids
KW - Corrosion
KW - DFT
KW - PVD
KW - Wear
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U2 - 10.1016/j.ceramint.2022.09.176
DO - 10.1016/j.ceramint.2022.09.176
M3 - Article
AN - SCOPUS:85138535008
SN - 0272-8842
VL - 49
SP - 2102
EP - 2114
JO - Ceramics International
JF - Ceramics International
IS - 2
ER -