Please use this identifier to cite or link to this item: https://apo.ansto.gov.au/dspace/handle/10238/5296
Title: 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
Authors: Avdeev, M
Sale, M
Adams, S
Rao, RP
Keywords: Valence
Iionic conductivity
Lithium
Diffusion
Electric conductors
Ions
Issue Date: 4-Oct-2012
Publisher: Elsevier Science BV
Citation: Avdeev, 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.2012.02.014
Abstract: High 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.
Gov't Doc #: 4569
URI: http://dx.doi.org/10.1016/j.ssi.2012.02.014
http://apo.ansto.gov.au/dspace/handle/10238/5296
ISSN: 0167-2738
Appears in Collections:Journal Articles

Files in This Item:
There are no files associated with this item.


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.