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. ISSN 1433-7851

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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.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of 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
Date:	2011
Volume:	Vol.50
Number:	No.40
Page Range:	pp. 9328-9333
Identification Number:	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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URI:	http://wrap.warwick.ac.uk/id/eprint/40336

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