The hydration structure at yttria-stabilized cubic zirconia (110)-water interface with sub-Ångström resolution

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; Kim, Jongjin; Hong, Seungbum; Bahn, Chi Bum; Park, Changyong; Kim, Ji Hyun

doi:10.1038/srep27916

Title: The hydration structure at yttria-stabilized cubic zirconia (110)-water interface with sub-Ångström resolution

Journal Article · Wed Jun 15 00:00:00 EDT 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep27916· OSTI ID:1352531

Hou, Binyang ^[1]; Kim, Seunghyun ^[2]; Kim, Taeho ^[2]; Kim, Jongjin ^[3]; Hong, Seungbum ^[4]; Bahn, Chi Bum ^[5]; Park, Changyong ^[1]; Kim, Ji Hyun ^[2]

Carnegie Inst. of Washington, Argonne, IL (United States)
Ulsan National Institute of Science and Technology, Ulsan (South Korea)
Argonne National Lab. (ANL), Argonne, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); KAIST, Daejeon (South Korea)
Pusan National Univ., Pusan (South Korea)

The interfacial hydration structure of yttria-stabilized cubic zirconia (110) surface in contact with water was determined with ~0.5 Å resolution by high-resolution X-ray reflectivity measurement. The terminal layer shows a reduced electron density compared to the following substrate lattice layers, which indicates there are additional defects generated by metal depletion as well as intrinsic oxygen vacancies, both of which are apparently filled by water species. Above this top surface layer, two additional adsorbed layers are observed forming a characteristic interfacial hydration structure. The first adsorbed layer shows abnormally high density as pure water and likely includes metal species, whereas the second layer consists of pure water. The observed interfacial hydration structure seems responsible for local equilibration of the defective surface in water and eventually regulating the long-term degradation processes. As a result, the multitude of water interactions with the zirconia surface results in the complex but highly ordered interfacial structure constituting the reaction front.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: Materials Sciences and Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1352531

Journal Information:: Scientific Reports, Vol. 6, Issue 1; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 6 works

Citation information provided by
Web of Science

References (37)

Degradation During Aging of Transformation-Toughened ZrO2-Y2O3 Materials at 250oC Lange, F. F.; Dunlop, G. L.; Davis, B. I. Journal of the American Ceramic Society, Vol. 69, Issue 3 https://doi.org/10.1111/j.1151-2916.1986.tb07415.x	journal	March 1986
High-resolution neutron-scattering study of slow dynamics of surface water molecules in zirconium oxide Mamontov, E. The Journal of Chemical Physics, Vol. 123, Issue 2 https://doi.org/10.1063/1.1949171	journal	July 2005
First-principle investigation of the hydroxylation of zirconia and hafnia surfaces Iskandarova, I. M.; Knizhnik, A. A.; Rykova, E. A. Microelectronic Engineering, Vol. 69, Issue 2-4 https://doi.org/10.1016/s0167-9317(03)00350-2	journal	September 2003
Phase transformation of oxide film in zirconium alloy in high temperature hydrogenated water Kim, Taeho; Kim, Jongjin; Choi, Kyoung Joon Corrosion Science, Vol. 99 https://doi.org/10.1016/j.corsci.2015.06.034	journal	October 2015
Crystal Phases, Defects, and Dynamics of Adsorbed Hydroxyl Groups and Water in Pure and Lanthanide-Modified Zirconia: A Neutron-Scattering Study Loong, C. K.; Richardson, J. W.; Ozawa, M. Journal of Catalysis, Vol. 157, Issue 2 https://doi.org/10.1006/jcat.1995.1329	journal	December 1995
Aberration-Corrected TEM Imaging of Oxygen Occupancy in YSZ An, Jihwan; Koh, Ai Leen; Park, Joong Sun The Journal of Physical Chemistry Letters, Vol. 4, Issue 7 https://doi.org/10.1021/jz4002423	journal	March 2013
Electron beam physical vapor deposition of YSZ electrolyte coatings for SOFCs He, Xiaodong; Meng, Bin; Sun, Yue Applied Surface Science, Vol. 254, Issue 22 https://doi.org/10.1016/j.apsusc.2008.05.271	journal	September 2008
Progress in the development of zirconia gas sensors Maskell, W. Solid State Ionics, Vol. 134, Issue 1-2 https://doi.org/10.1016/s0167-2738(00)00712-8	journal	October 2000
Termination and hydration of forsteritic olivine (0 1 0) surface Yan, Hongping; Park, Changyong; Ahn, Gun Geochimica et Cosmochimica Acta, Vol. 145 https://doi.org/10.1016/j.gca.2014.09.005	journal	November 2014
Assessment of ultrathin yttria-stabilized zirconia foils for biomedical applications Le Coadou, C.; Karst, N.; Emieux, F. Journal of Materials Science, Vol. 50, Issue 18 https://doi.org/10.1007/s10853-015-9178-7	journal	June 2015
Mineral–water interfacial structures revealed by synchrotron X-ray scattering Fenter, Paul; Sturchio, Neil C. Progress in Surface Science, Vol. 77, Issue 5-8 https://doi.org/10.1016/j.progsurf.2004.12.001	journal	January 2004
Monovalent Ion Adsorption at the Muscovite (001)–Solution Interface: Relationships among Ion Coverage and Speciation, Interfacial Water Structure, and Substrate Relaxation Lee, Sang Soo; Fenter, Paul; Nagy, Kathryn L. Langmuir, Vol. 28, Issue 23 https://doi.org/10.1021/la300032h	journal	May 2012
Dynamics of surface water in ZrO2 studied by quasielastic neutron scattering Mamontov, E. The Journal of Chemical Physics, Vol. 121, Issue 18 https://doi.org/10.1063/1.1804152	journal	November 2004
X-ray Reflectivity as a Probe of Mineral-Fluid Interfaces: A User Guide Fenter, P. A. Reviews in Mineralogy and Geochemistry, Vol. 49, Issue 1 https://doi.org/10.2138/gsrmg.49.1.149	journal	January 2002
Phase change and mechanical properties of ZrO2-Y2O3 solid electrolyte after ageing Kobayashi, K.; Kuwajima, H.; Masaki, T. Solid State Ionics, Vol. 3-4 https://doi.org/10.1016/0167-2738(81)90138-7	journal	August 1981
Hydrothermal degradation of cubic zirconia Guo, Xin; He, Jiaqing Acta Materialia, Vol. 51, Issue 17 https://doi.org/10.1016/S1359-6454(03)00362-8	journal	October 2003
Adsorption sites on polymorphic zirconia Jacob, Karl-Heinz; Knözinger, Erich; Benier, Sigrid J. Mater. Chem., Vol. 3, Issue 6 https://doi.org/10.1039/JM9930300651	journal	January 1993
IR studies of water sorption on ZrO2 polymorphs. I Agron, P. A.; Fuller, E. L.; Holmes, H. F. Journal of Colloid and Interface Science, Vol. 52, Issue 3 https://doi.org/10.1016/0021-9797(75)90280-5	journal	September 1975
Chemical forms of hydroxyls on/in Zirconia: An FT-IR study Merle-Méjean, T.; Barberis, P.; Othmane, S. Ben Journal of the European Ceramic Society, Vol. 18, Issue 11 https://doi.org/10.1016/S0955-2219(98)00080-6	journal	January 1998
Interaction of water with titania and zirconia surfaces Ignatchenko, Alexey; Nealon, Donald G.; Dushane, Roy Journal of Molecular Catalysis A: Chemical, Vol. 256, Issue 1-2 https://doi.org/10.1016/j.molcata.2006.04.031	journal	August 2006
Formation and dissolution of oxide film on zirconium alloys in 288°C pure water under γ-ray irradiation Nishino, Yoshitaka; Endo, Masao; Ibe, Eishi Journal of Nuclear Materials, Vol. 248 https://doi.org/10.1016/S0022-3115(97)00126-8	journal	September 1997
Neutron and Raman scattering studies of surface adsorbed molecular vibrations and bulk phonons in ZrO2 nanoparticles Ozawa, Masakuni; Suzuki, Suguru; Loong, C. -K. Applied Surface Science, Vol. 121-122 https://doi.org/10.1016/S0169-4332(97)00272-9	journal	November 1997
Characterization of adsorbed water layers on Y2O3-doped ZrO2 Raz, S. Solid State Ionics, Vol. 143, Issue 2 https://doi.org/10.1016/S0167-2738(01)00826-8	journal	June 2001
Low Temperature Stability of Cubic Zirconia Guo, Xin physica status solidi (a), Vol. 177, Issue 1 https://doi.org/10.1002/(SICI)1521-396X(200001)177:1<191::AID-PSSA191>3.0.CO;2-X	journal	January 2000
Calorimetric Measurement of Surface and Interface Enthalpies of Yttria-Stabilized Zirconia (YSZ) Costa, Gustavo C. C.; Ushakov, Sergey V.; Castro, Ricardo H. R. Chemistry of Materials, Vol. 22, Issue 9 https://doi.org/10.1021/cm100255u	journal	May 2010
Some thoughts on the mechanisms of in-reactor corrosion of zirconium alloys Cox, B. Journal of Nuclear Materials, Vol. 336, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2004.09.029	journal	February 2005
Crystal truncation rods and surface roughness Robinson, I. K. Physical Review B, Vol. 33, Issue 6 https://doi.org/10.1103/PhysRevB.33.3830	journal	March 1986
Epitaxial growth of otavite on calcite observed in situ by synchrotron X-ray scattering Chiarello, Ronald P.; Sturchio, Neil C. Geochimica et Cosmochimica Acta, Vol. 58, Issue 24 https://doi.org/10.1016/0016-7037(94)90255-0	journal	December 1994
Three-dimensional structure of the calcite–water interface by surface X-ray scattering Geissbühler, P.; Fenter, P.; DiMasi, E. Surface Science, Vol. 573, Issue 2 https://doi.org/10.1016/j.susc.2004.09.036	journal	December 2004
Structure of the fluorapatite (100)-water interface by high-resolution X-ray reflectivity Park, Changyong; Fenter, Paul; Zhang, Zhan American Mineralogist, Vol. 89, Issue 11-12 https://doi.org/10.2138/am-2004-11-1209	journal	November 2004
Ab initio study of yttria-stabilized cubic zirconia surfaces Ballabio, G.; Bernasconi, M.; Pietrucci, F. Physical Review B, Vol. 70, Issue 7 https://doi.org/10.1103/PhysRevB.70.075417	journal	August 2004
X-Ray Reflectivity Measurements of Surface Layering in Liquid Mercury Magnussen, O. M.; Ocko, B. M.; Regan, M. J. Physical Review Letters, Vol. 74, Issue 22 https://doi.org/10.1103/PhysRevLett.74.4444	journal	May 1995
*Ab initio* study of structural and electronic properties of yttria-stabilized cubic zirconia Stapper, G.; Bernasconi, M.; Nicoloso, N. Physical Review B, Vol. 59, Issue 2 https://doi.org/10.1103/PhysRevB.59.797	journal	January 1999
Adsorption of Water on Yttria-Stabilized Zirconia Chaopradith, Dominic T.; Scanlon, David O.; Catlow, C. Richard A. The Journal of Physical Chemistry C, Vol. 119, Issue 39 https://doi.org/10.1021/acs.jpcc.5b06825	journal	September 2015
Mesostructured Zirconium Oxide Liu, P.; Reddy, J. S.; Adnot, A. MRS Proceedings, Vol. 431 https://doi.org/10.1557/PROC-431-101	journal	January 1996
Structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Yashima, Masatomo; Tsunekawa, Shin Acta Crystallographica Section B Structural Science, Vol. 62, Issue 1 https://doi.org/10.1107/S0108768105030570	journal	January 2006
On the use of CCD area detectors for high-resolution specular X-ray reflectivity Fenter, P.; Catalano, J. G.; Park, C. Journal of Synchrotron Radiation, Vol. 13, Issue 4 https://doi.org/10.1107/s0909049506018000	journal	June 2006

Similar Records

Orientation-dependent hydration structures at yttria-stabilized cubic zirconia surfaces

Journal Article · Wed Nov 30 00:00:00 EST 2016 · Journal of Physical Chemistry. C · OSTI ID:1352531

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; +6 more

Zinc Adsorption and Hydration Structures at Yttria-Stabilized Zirconia Surfaces

Journal Article · Mon Sep 11 00:00:00 EDT 2017 · Journal of Physical Chemistry. C · OSTI ID:1352531

Hou, Binyang; Kim, Taeho; Kim, Seunghyun; +5 more

TEM observation of reaction at the interface between yttria-doped ceria and yttria-stabilized zirconia

Journal Article · Sat Feb 15 00:00:00 EST 1997 · Journal of Solid State Chemistry · OSTI ID:1352531

Mitsuyasu, Hidemi; Nonaka, Yasushi; Arai, Hiromichi

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE

Title: The hydration structure at yttria-stabilized cubic zirconia (110)-water interface with sub-Ångström resolution

Citation Formats

References (37)

Similar Records

Related Subjects