Surface and grain-boundary energies in yttria-stabilized zirconia (YSZ-8 mol%)

Tsoga, A.; Nikolopoulos, P.

doi:10.1007/bf01159310

Cited by 106 publications

(54 citation statements)

References 16 publications

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“…This high value for ⌬F can not be explained from the known values of the surface free energies of the impurities ͑like SiO 2 ͒ and YSZ, not even in the inconceivable situation that YSZ becomes completely reduced and the impurities remain fully oxidized. 19,24,25 This means that the factors involved in the interaction between surfactants and YSZ have to be taken into account.…”

Section: A Impuritiesmentioning

confidence: 99%

Subsurface segregation of yttria in yttria stabilized zirconia

Ridder

Welzenis

Gon

et al. 2002

Journal of Applied Physics

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The segregation behavior in 3 and 10 mol % polycrystalline yttria stabilized zirconia ͑YSZ͒, calcined at temperatures ranging from 300 to 1600°C, is characterized using low-energy ion scattering ͑LEIS͒. In order to be able to separate the Y and Zr LEIS signals, YSZ samples have been prepared using isotopically enriched 94 ZrO 2 instead of natural zirconia. The samples are made via a special precipitation method at a low temperature. The segregation to the outermost surface layer is dominated by impurities. The increased impurity levels are restricted to this first layer, which underlines the importance of the use of LEIS for this study. For temperatures of 1000°C and higher, the oxides of the impurities Na, Si, and Ca even cover the surface completely. The performance of a device like the solid oxide fuel cell which has an YSZ electrolyte and a working temperature around 1000°C, will, therefore, be strongly hampered by these impurities. The reduction of impurities, to prevent accumulation at the surface, will only be effective if the total impurity bulk concentration can be reduced below the 10 ppm level. Due to the presence of the impurities, yttria cannot accumulate in the outermost layer. It does so, in contrast to the general belief, in the subsurface layer and to much higher concentrations than the values reported previously. The difference in the interfacial free energies of Y 2 O 3 and ZrO 2 is determined to be Ϫ21Ϯ3 kJ/mol.

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Section: A Impuritiesmentioning

confidence: 99%

Subsurface segregation of yttria in yttria stabilized zirconia

Ridder

Welzenis

Gon

et al. 2002

Journal of Applied Physics

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“…Comparison with experiments suggest that the GGA results are closer to reality than LDA or Hartree-Fock results for surface energies; the surface free energies of typical metal oxides fall in range 300-900 mJ/m 2 . 63 Virtually all ab initio calculations refer to Tϭ0 K, so an entropy correction of order 0.4 mJ/m 2 must be included for a proper comparison, 64 but still the GGA results are closer to reality than LDA results for surface energies. This is not particularly surprising, since it is well known that both the LDA and the HF methods will overestimate the energy to break bonds.…”

Section: A Interface Geometrymentioning

confidence: 99%

First-principles characterization of a heteroceramic interface:ZrO2(001)deposited on anα−
Christensen
¹
,
Carter
²

2000
Phys. Rev. B
65
3
29
1
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“…For many oxides with cubic fluoride structure γ s−v ∼ = 2γ gb . 23,24 The free-energy change for the monophasic precursors is:…”

Section: Discussionmentioning

confidence: 99%

Grain boundary evolution on sintering in yttria (8 mol%)-stabilized zirconia assisted by one or two driving forces

Mascolo

Ring

2012

Journal of the European Ceramic Society

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Surface and grain-boundary energies in yttria-stabilized zirconia (YSZ-8 mol%)

Cited by 106 publications

References 16 publications

Subsurface segregation of yttria in yttria stabilized zirconia

Subsurface segregation of yttria in yttria stabilized zirconia

First-principles characterization of a heteroceramic interface:ZrO2(001)deposited on anα−
Christensen
¹
,
Carter
²

2000
Phys. Rev. B
65
3
29
1
View full text Add to dashboard Cite

Grain boundary evolution on sintering in yttria (8 mol%)-stabilized zirconia assisted by one or two driving forces

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Surface and grain-boundary energies in yttria-stabilized zirconia (YSZ-8 mol%)

Cited by 106 publications

References 16 publications

Subsurface segregation of yttria in yttria stabilized zirconia

Subsurface segregation of yttria in yttria stabilized zirconia

First-principles characterization of a heteroceramic interface:ZrO2(001)deposited on anα−Christensen1, Carter2 2000Phys. Rev. B653291View full textAdd to dashboardCite

Grain boundary evolution on sintering in yttria (8 mol%)-stabilized zirconia assisted by one or two driving forces

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Product

Resources

About

First-principles characterization of a heteroceramic interface:ZrO2(001)deposited on anα−
Christensen
¹
,
Carter
²

2000
Phys. Rev. B
65
3
29
1
View full text Add to dashboard Cite