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

Pooja M Panchmatia, Alodia Orera, Gregory J Rees, Mark E Smith, John V Hanna, Peter R Slater, M Saiful Islam

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)9328-9333
Number of pages6
JournalAngewandte Chemie-International Edition
Volume50
Issue number40
DOIs
Publication statusPublished - 26 Sep 2011

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