Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia

Simon C. Middleburgh; Iuliia Ipatova; Lee J. Evitts; Michael J.D. Rushton; Ben Assinder; Robin W. Grimes; William E. Lee

doi:10.1016/j.scriptamat.2019.08.040

Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia

Imperial College London

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Abstract

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.

Original language	English
Pages (from-to)	7-10
Journal	Scripta Materialia
Volume	175
Early online date	10 Sept 2019
DOIs	https://doi.org/10.1016/j.scriptamat.2019.08.040
Publication status	Published - 15 Jan 2020

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title = "Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia",

abstract = "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.",

author = "Middleburgh, \{Simon C.\} and Iuliia Ipatova and Evitts, \{Lee J.\} and Rushton, \{Michael J.D.\} and Ben Assinder and Grimes, \{Robin W.\} and Lee, \{William E.\}",

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doi = "10.1016/j.scriptamat.2019.08.040",

language = "English",

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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

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VL - 175

SP - 7

EP - 10

JO - Scripta Materialia

JF - Scripta Materialia

ER -

Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia

Abstract

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