Journal
SOLID STATE IONICS
Volume 253, Issue -, Pages 217-222Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.ssi.2013.09.030
Keywords
Molecular dynamics; NASICON; Fast ion conduction; Cationic order
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Funding
- Department of Science and Technology (DST), New Delhi [SR/S1/PC-24/2011]
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Molecular dynamics investigations suggest the significance of Si/P ordering on the nature of ion transport in NASICONs (acronym for Na-superionic conductor). For certain Si/P ordering predominantly two dimensional transport of Na+ ions in Na2Zr2SiP2O12 is predicted, which is otherwise known to be an isotropic ionic conductor. The microscopic energetic barriers and topology of the conduction channels are analyzed. (C) 2013 Elsevier B.V. All rights reserved.
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