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Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia. / Middleburgh, Simon C.; Ipatova, Iuliia; Evitts, Lee J.; Rushton, Michael J.D.; Assinder, Ben; Grimes, Robin W.; Lee, William E.

Yn: SCRIPTA MATERIALIA, Cyfrol 175, 15.01.2020, t. 7-10.

Allbwn ymchwil: Cyfraniad at gyfnodolynErthygl

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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 -