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

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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.
LanguageEnglish
Pages9328-9333
Number of pages6
JournalAngewandte Chemie-International Edition
Volume50
Issue number40
DOIs
StatusPublished - 26 Sep 2011

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Apatites
Ions
Oxygen
Germanium
Molecular Dynamics Simulation
Oxides
Magnetic Resonance Spectroscopy

Cite this

Panchmatia, P. M., Orera, A., Rees, G. J., Smith, M. E., Hanna, J. V., Slater, P. R., & Islam, M. S. (2011). Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. DOI: 10.1002/anie.201102064

Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. / Panchmatia, Pooja M; Orera, Alodia; Rees, Gregory J; Smith, Mark E; Hanna, John V; Slater, Peter R; Islam, M Saiful.

In: Angewandte Chemie-International Edition, Vol. 50, No. 40, 26.09.2011, p. 9328-9333.

Research output: Contribution to journalArticle

Panchmatia PM, Orera A, Rees GJ, Smith ME, Hanna JV, Slater PR et al. Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. Angewandte Chemie-International Edition. 2011 Sep 26;50(40):9328-9333. Available from, DOI: 10.1002/anie.201102064
Panchmatia, Pooja M ; Orera, Alodia ; Rees, Gregory J ; Smith, Mark E ; Hanna, John V ; Slater, Peter R ; Islam, M Saiful. / Oxygen defects and novel transport mechanisms in apatite ionic conductors: combined 17O NMR and modeling studies. In: Angewandte Chemie-International Edition. 2011 ; Vol. 50, No. 40. pp. 9328-9333
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