Theory of oxidation/reduction-induced valence transformations of metal ion dopants in oxide crystals mediated by oxide-vacancy diffusion: II. Kinetic analysis.

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Title: Theory of oxidation/reduction-induced valence transformations of metal ion dopants in oxide crystals mediated by oxide-vacancy diffusion: II. Kinetic analysis.
Authors: Sinder, M.1 micha@bgu.ac.il, Burshtein, Z.1, Pelleg, J.1
Source: Journal of Physics & Chemistry of Solids. Apr2014, Vol. 75 Issue 4, p570-582. 13p.
Subjects: Chemical reduction, Valence (Chemistry), Metal ions, Doping agents (Chemistry), Diffusion, Partial pressure
Abstract: Abstract: We consider theoretically valence transformations of doping metal ions in oxide crystals induced by oxidation and reduction obtained by changes in the ambient oxygen partial pressure. Three types of oxygen vacancies are assumed to mediate transformations: neutral, singly ionized, and doubly ionized. In the companion part I paper we provide thermodynamic analyses yielding concentration relations among the oxygen vacancy, metal ions, holes and electrons, as functions of the ambient oxygen pressure. In the present companion part II paper we provide time dependent concentration profiles of the various species and reaction rate profiles. The diffusion exhibits a complex behavior; under some conditions, it may be described by a constant diffusivity, and is symmetric with respect to oxidation and reduction. However, under a wide range of conditions, the ionic state changes are highly asymmetric with respect to oxidation and reduction. For example, in the case of a neutral vacancy, a very narrow reaction front may establish during reduction. In the inverse (oxidation) process, however, the different species' profiles are quite smooth. [Copyright &y& Elsevier]
Copyright of Journal of Physics & Chemistry of Solids is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Label: Title
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  Data: Theory of oxidation/reduction-induced valence transformations of metal ion dopants in oxide crystals mediated by oxide-vacancy diffusion: II. Kinetic analysis.
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  Data: <searchLink fieldCode="AR" term="%22Sinder%2C+M%2E%22">Sinder, M.</searchLink><relatesTo>1</relatesTo><i> micha@bgu.ac.il</i><br /><searchLink fieldCode="AR" term="%22Burshtein%2C+Z%2E%22">Burshtein, Z.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Pelleg%2C+J%2E%22">Pelleg, J.</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Physics+%26+Chemistry+of+Solids%22">Journal of Physics & Chemistry of Solids</searchLink>. Apr2014, Vol. 75 Issue 4, p570-582. 13p.
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  Data: <searchLink fieldCode="DE" term="%22Chemical+reduction%22">Chemical reduction</searchLink><br /><searchLink fieldCode="DE" term="%22Valence+%28Chemistry%29%22">Valence (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+ions%22">Metal ions</searchLink><br /><searchLink fieldCode="DE" term="%22Doping+agents+%28Chemistry%29%22">Doping agents (Chemistry)</searchLink><br /><searchLink fieldCode="DE" term="%22Diffusion%22">Diffusion</searchLink><br /><searchLink fieldCode="DE" term="%22Partial+pressure%22">Partial pressure</searchLink>
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  Label: Abstract
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  Data: Abstract: We consider theoretically valence transformations of doping metal ions in oxide crystals induced by oxidation and reduction obtained by changes in the ambient oxygen partial pressure. Three types of oxygen vacancies are assumed to mediate transformations: neutral, singly ionized, and doubly ionized. In the companion part I paper we provide thermodynamic analyses yielding concentration relations among the oxygen vacancy, metal ions, holes and electrons, as functions of the ambient oxygen pressure. In the present companion part II paper we provide time dependent concentration profiles of the various species and reaction rate profiles. The diffusion exhibits a complex behavior; under some conditions, it may be described by a constant diffusivity, and is symmetric with respect to oxidation and reduction. However, under a wide range of conditions, the ionic state changes are highly asymmetric with respect to oxidation and reduction. For example, in the case of a neutral vacancy, a very narrow reaction front may establish during reduction. In the inverse (oxidation) process, however, the different species' profiles are quite smooth. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Physics & Chemistry of Solids is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1016/j.jpcs.2013.12.016
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      – Code: eng
        Text: English
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        PageCount: 13
        StartPage: 570
    Subjects:
      – SubjectFull: Chemical reduction
        Type: general
      – SubjectFull: Valence (Chemistry)
        Type: general
      – SubjectFull: Metal ions
        Type: general
      – SubjectFull: Doping agents (Chemistry)
        Type: general
      – SubjectFull: Diffusion
        Type: general
      – SubjectFull: Partial pressure
        Type: general
    Titles:
      – TitleFull: Theory of oxidation/reduction-induced valence transformations of metal ion dopants in oxide crystals mediated by oxide-vacancy diffusion: II. Kinetic analysis.
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            NameFull: Sinder, M.
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            NameFull: Burshtein, Z.
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            – D: 01
              M: 04
              Text: Apr2014
              Type: published
              Y: 2014
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            – TitleFull: Journal of Physics & Chemistry of Solids
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