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First-principles calculations of migration energy of lithium ions in halides and chalcogenides
- Source :
- Journal of Physical Chemistry B. April 27, 2006, Vol. 110 Issue 16, p8258, 5 p.
- Publication Year :
- 2006
-
Abstract
- First-principles calculations were performed to examine the migration of Li(super plus) ions through the vacancy mechanism in lithium halides with the rocksalt and hypothetical zinc blende structures and lithium chalcogenides with the antifluorite structure. The findings show a migration path similar to that in the charged-sphere model, indicating that electrostatic attractive interactions play a dominant role in the inter-ion interactions in Li(sub 2)O and, therdefore, in the ion migration.
Details
- Language :
- English
- ISSN :
- 15206106
- Volume :
- 110
- Issue :
- 16
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry B
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.146281697