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

Panchmatia, Pooja M. and Orera, Alodia and Rees, Gregory J. and Smith, Mark E. and Hanna, John V. and Slater, Peter 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, 50 (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
Journal or Publication Title:
Angewandte Chemie International Edition
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1500/1503
Subjects:
Departments:
ID Code:
65030
Deposited By:
Deposited On:
06 Jun 2013 12:45
Refereed?:
Yes
Published?:
Published
Last Modified:
26 Aug 2020 01:13