Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia
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In: Scripta Materialia, Vol. 175, 15.01.2020, p. 7-10.
Research output: Contribution to journal › Article › peer-review
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T1 - Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia
AU - Middleburgh, Simon C.
AU - Ipatova, Iuliia
AU - Evitts, Lee J.
AU - Rushton, Michael J.D.
AU - Assinder, Ben
AU - Grimes, Robin W.
AU - Lee, William E.
PY - 2020/1/15
Y1 - 2020/1/15
N2 - ttria partially stabilized zirconia (ZrO2)x(Y2O3)½-x has been investigated to understand accommodation of excess oxygen into its structure. ZrO2 powder with 8 wt% Y2O3 additions was treated in 30 vol% H2O2 solution to promote oxidation of the material. A new Raman peak was observed after treatment at 840 cm−1, consistent with previous reports of solid state peroxide ions (O22−). This was corroborated using atomic scale simulation based on density functional theory; these also highlighted the near-zero solution enthalpy for excess oxygen in the monoclinic structure via the formation of a peroxide ion defect.
AB - ttria partially stabilized zirconia (ZrO2)x(Y2O3)½-x has been investigated to understand accommodation of excess oxygen into its structure. ZrO2 powder with 8 wt% Y2O3 additions was treated in 30 vol% H2O2 solution to promote oxidation of the material. A new Raman peak was observed after treatment at 840 cm−1, consistent with previous reports of solid state peroxide ions (O22−). This was corroborated using atomic scale simulation based on density functional theory; these also highlighted the near-zero solution enthalpy for excess oxygen in the monoclinic structure via the formation of a peroxide ion defect.
U2 - 10.1016/j.scriptamat.2019.08.040
DO - 10.1016/j.scriptamat.2019.08.040
M3 - Article
VL - 175
SP - 7
EP - 10
JO - Scripta Materialia
JF - Scripta Materialia
SN - 1359-6462
ER -