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Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies

Research output: Contribution to journalJournal article

  • Pooja M. Panchmatia
  • Alodia Orera
  • Gregory J. Rees
  • Mark E. Smith
  • John V. Hanna
  • Peter R. Slater
  • M. Saiful Islam
<mark>Journal publication date</mark>26/09/2011
<mark>Journal</mark>Angewandte Chemie International Edition
Issue number40
Number of pages6
Pages (from-to)9328-9333
Publication StatusPublished
<mark>Original language</mark>English


Germanium-based apatite compounds are fast oxide-ion conductors for potential use in fuel cells. A combination of solid-state 17O NMR spectroscopy, atomistic modeling, and DFT techniques help to elucidate oxygen defect sites and novel cooperative mechanisms of ion conduction. The picture shows oxygen diffusion in the studied apatite compound from molecular dynamics simulations.