A new defect chemistry model for Nb-doped SrCoO2.5+δ: The role of oxygen interstitials and delocalized-to-localized electron holes

Wang, Jie; Jin, Xinfang; Huang, Kevin

doi:10.1016/j.jssc.2016.11.008

Title: A new defect chemistry model for Nb-doped SrCoO_2.5+δ: The role of oxygen interstitials and delocalized-to-localized electron holes

Journal Article · Sun Nov 13 00:00:00 EST 2016 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2016.11.008· OSTI ID:1534064

Wang, Jie ^[1]; Jin, Xinfang ^[1]; Huang, Kevin ^[1]

University of South Carolina, Columbia, SC (United States)

Here a new defect chemistry model featuring oxygen interstitials ( O"_I) and delocalized-to-localized d-electron holes (Co'_{Co 2.5}reference framework to elucidate transport properties of Nb-doped SrCoO_2.5+δ(SCN) system over a range of partial pressure of oxygen (Po₂) and temperature (T). With this new defect chemistry model, the electronic conductivity behaviors with T and Po2 can be well interpreted by the change in concentration of d-electron holes migrating with a constant mobility. The important concentration contours of electron holes, excess electrons and oxygen interstitials are mapped out on the T-Po₂ domain, from which hole-concentration and conductivity under iso-stoichiometry are reconstructed. The partial/integral molar thermodynamic properties and thermodynamic factor of the SCN solid solution are also determined. A transitional delocalized-to-localized hole-transport mechanism with decreasing oxygen stoichiometry is discussed based on p=p(T) obtained under constant oxygen stoichiometry.

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Research Organization:: Univ. of South Carolina, Columbia, SC (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: AR0000492

OSTI ID:: 1534064

Alternate ID(s):: OSTI ID: 1396849

Journal Information:: Journal of Solid State Chemistry, Vol. 246, Issue C; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: A new defect chemistry model for Nb-doped SrCoO2.5+δ: The role of oxygen interstitials and delocalized-to-localized electron holes

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Title: A new defect chemistry model for Nb-doped SrCoO_2.5+δ: The role of oxygen interstitials and delocalized-to-localized electron holes