Defect analysis and thermodynamic modeling of LaCoO3-δ

Mei Yang, Yu Zhong, Zi Kui Liu

Research output: Contribution to journalArticle

23 Scopus citations

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

All Science Journal Classification (ASJC) codes

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

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