Anisotropic oxygen diffusion in PrBaCo 2O 5.5 double perovskites

I. D. Seymour, A. Tarancón, A. Chroneos, D. Parfitt, J. A. Kilner, R. W. Grimes

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89 Citations (Scopus)


Using classical molecular dynamics in conjunction with an established set of Born model potentials the oxygen ion diffusion mechanism and energetics in the double perovskite PrBaCo 2O 5.5 were investigated in the temperature range from 650 °C to 1000 °C. An anisotropic oxygen diffusion mechanism with diffusion occurring predominantly in the Pr-O and Co-O layers was observed. An activation energy of E a = 0.35 eV was measured for the range of temperatures under study. The results are discussed in view of recent experimental and theoretical results of this and other compounds of the LnBaCo 2O 5 + δ family.

Original languageEnglish
Pages (from-to)41-43
Number of pages3
JournalSolid State Ionics
Publication statusPublished - 28 May 2012
Externally publishedYes


  • Cathode
  • Layered perovskite
  • Molecular dynamics
  • PBCO
  • SOFC

ASJC Scopus subject areas

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


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