Screening of the alkali-metal ion containing materials from the Inorganic Crystal Structure Database (ICSD) for high ionic conductivity pathways using the bond valence method

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dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorSale, Men_AU
dc.contributor.authorAdams, Sen_AU
dc.contributor.authorRao, RPen_AU
dc.date.accessioned2014-03-24T23:44:14Zen_AU
dc.date.available2014-03-24T23:44:14Zen_AU
dc.date.issued2012-10-04en_AU
dc.date.statistics2014-03-25en_AU
dc.description.abstractHigh ionic conductivity is one of the key characteristics of electrolytes and electrode materials directly affecting performance of electrochemical devices in which they are used. In the case of inorganic crystalline solid electrolytes and insertion cathodes the topology and geometry of crystal structure essentially defines ionic conductivity and charge–discharge rates. We employed the bond valence method to identify materials with crystal structures featuring infinite networks of pathways of suitable size that is a prerequisite for fast ion transport. Taking advantage of the method low computational cost, we carried out exhaustive analysis of similar to 13,000 entries of the Inorganic Crystal Structure Database and ranked the materials based on the fraction of crystal structure space with low bond-valence mismatch. The results may be used as a guide for further theoretical and experimental studies of promising compositions. © 2012, Elsevier Ltd.en_AU
dc.identifier.citationAvdeev, M., Sale, M., Adams, S., & Rao, R. P. (2012). Screening of the alkali-metal ion containing materials from the Inorganic Crystal Structure Database (ICSD) for high ionic conductivity pathways using the bond valence method. Solid State Ionics, 225, 43-46. doi:10.1016/j.ssi.2012.02.014en_AU
dc.identifier.govdoc4569en_AU
dc.identifier.issn0167-2738en_AU
dc.identifier.journaltitleSolid State Ionicsen_AU
dc.identifier.pagination43-46en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.ssi.2012.02.014en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5296en_AU
dc.identifier.volume225en_AU
dc.language.isoenen_AU
dc.publisherElsevier Science BVen_AU
dc.subjectValenceen_AU
dc.subjectIonic conductivityen_AU
dc.subjectLithiumen_AU
dc.subjectDiffusionen_AU
dc.subjectElectric conductorsen_AU
dc.subjectIonsen_AU
dc.titleScreening of the alkali-metal ion containing materials from the Inorganic Crystal Structure Database (ICSD) for high ionic conductivity pathways using the bond valence methoden_AU
dc.typeJournal Articleen_AU
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