Defect analysis and thermodynamic modeling of LaCoO3-δ

Mei Yang, Yu Zhong, Zi-kui Liu

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The defect structures of the LaCoO3-δ perovskite are analyzed through thermodynamic modeling by means of the CALPHAD technique. It is discovered that charge disproportionation exists for Co3+ in order to describe the relationship between the oxygen partial pressure and the oxygen deficiency. Based on available experimental data, a compound-energy model, (La3+,Va)1(Co2+,Co3+,Co4+,Va)1(O2-,Va)3, where Va stands for vacancy, is proposed and model parameters evaluated. It was consequently predicted from the thermodynamic model that the amounts of Co2+ and Co4+ are about 20% each when there is no oxygen deficiency.

Original languageEnglish (US)
Pages (from-to)1027-1032
Number of pages6
JournalSolid State Ionics
Volume178
Issue number15-18
DOIs
StatePublished - Jun 1 2007

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hypoxia
Thermodynamics
Oxygen
thermodynamics
Defects
defects
Defect structures
Partial pressure
Perovskite
Vacancies
partial pressure
oxygen
energy
perovskite

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Yang, Mei ; Zhong, Yu ; Liu, Zi-kui. / Defect analysis and thermodynamic modeling of LaCoO3-δ In: Solid State Ionics. 2007 ; Vol. 178, No. 15-18. pp. 1027-1032.
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Defect analysis and thermodynamic modeling of LaCoO3-δ . / Yang, Mei; Zhong, Yu; Liu, Zi-kui.

In: Solid State Ionics, Vol. 178, No. 15-18, 01.06.2007, p. 1027-1032.

Research output: Contribution to journalArticle

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