Quantifying oxygen vacancies in neodymium and samarium doped ceria from heat capacity measurements

Grace Neilsen, Peter F. Rosen, Matthew S. Dickson, Marko Popovic, Jacob Schliesser, Lee D. Hansen, Alexandra Navrotsky, Brian F. Woodfield

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


It has been previously reported in the literature that the vacancy concentration in a solid can be estimated using the linear term derived from low temperature heat capacity measurements. This paper investigates how such a model performs in both random and partially clustered vacancy systems. The heat capacity measurements were used to investigate the effect of singly (Nd or Sm) doped and co-doped (Nd and Sm) ceria, where simultaneous doping affects vacancy clustering and ionic conductivity. Comparison of calculated vacancy concentrations with sample stoichiometries showed that a vacancy concentration based on the linear term in the low temperature heat capacity is quantitative for near randomly distributed vacancies at low dopant concentration, but the prediction is low by approximately an order of magnitude when vacancies become clustered at higher dopant levels. This confirms that the linear term in the low-temperature heat capacity for non-metallic materials is a viable approach to estimate the vacancy concentration for randomly distributed vacancies which, in turn, can be used to distinguish between the random versus clustered vacancies.

Original languageEnglish (US)
Pages (from-to)740-744
Number of pages5
JournalActa Materialia
StatePublished - Apr 15 2020
Externally publishedYes


  • Cerium oxide
  • Lattice defects
  • SOFC
  • Specific heat
  • Vacancy clustering

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys


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