Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia

SCRIPTA MATERIALIA

卷:175

Article

Middleburgh, Simon C.¹  Ipatova, Willa¹  Evitts, Lee J.¹  Rushton, Michael J. D.¹  Assinder, Ben²  Grimes, Robin W.³  Lee, William E.^1,3 

[1] Bangor Univ, Nucl Futures Inst, Bangor LL57 1UT, Gwynedd, Wales

[2] Bangor Univ, Sch Elect Engn, Bangor LL57 1UT, Gwynedd, Wales

[3] Imperial Coll London, Dept Mat, London SW7 2AZ, England

关键词: Non-stoichiometry;    Yttria partially stabilized zirconia;    Raman spectroscopy;    Density functional theory;    Peroxide ion defect;   

DOI  :  10.1016/j.scriptamat.2019.08.040

来源: Elsevier

【 摘 要 】

Yttria partially stabilized zirconia (ZrO2)(x)(Y2O3)(1/2-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 (O-2(2-)). 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. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd.

【 授权许可】

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