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Oxygen defects and novel transport mechanisms in apatite ionic conductors : combined 17O NMR and modeling studies
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Panchmatia, Pooja M., Orera, Alodia, Rees, Gregory J., Smith, Mark E., Hanna, John V., Slater, P. R. and Islam, M. Saiful (2011) Oxygen defects and novel transport mechanisms in apatite ionic conductors : combined 17O NMR and modeling studies. Angewandte Chemie International Edition, Vol.50 (No.40). pp. 9328-9333. doi:10.1002/anie.201102064 ISSN 1433-7851.
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Official URL: http://dx.doi.org/10.1002/anie.201102064
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.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics | ||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Library of Congress Subject Headings (LCSH): | Transport theory, Apatite -- Transport properties, Electrolytes -- Conductivity, Solid oxide fuel cells, Nuclear magnetic resonance spectroscopy, Ions, Molecular dynamics -- Computer simulation | ||||
Journal or Publication Title: | Angewandte Chemie International Edition | ||||
Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA | ||||
ISSN: | 1433-7851 | ||||
Official Date: | 2011 | ||||
Dates: |
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Volume: | Vol.50 | ||||
Number: | No.40 | ||||
Page Range: | pp. 9328-9333 | ||||
DOI: | 10.1002/anie.201102064 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Engineering and Physical Sciences Research Council (EPSRC), European Regional Development Fund (ERDF) |
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