Variation in structure and Li+-ion migration in argyrodite-type Li6PS5X (X = Cl, Br, I) solid electrolytes

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dc.contributor.authorRayavarapu, PRen_AU
dc.contributor.authorSharma, Nen_AU
dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorAdams, Sen_AU
dc.date.accessioned2014-03-23T23:01:46Zen_AU
dc.date.available2014-03-23T23:01:46Zen_AU
dc.date.issued2012-05-01en_AU
dc.date.statistics2014-03-24en_AU
dc.description.abstractAll-solid-state rechargeable lithium-ion batteries (AS-LIBs) are attractive power sources for electrochemical applications due to their potentiality in improving safety and stability over conventional batteries with liquid electrolytes. Finding a solid electrolyte with high ionic conductivity and compatibility with other battery components is a key factor in raising the performance of AS-LIBs. In this work, we prepare argyrodite-type Li(6)PS(5)X (X = Cl, Br, I) using mechanical milling followed by annealing. X-ray diffraction characterization reveals the formation and growth of crystalline Li(6)PS(5)X in all cases. Ionic conductivity of the order of 7 x 10(-4) S cm(-1) in Li(6)PS(5)Cl and Li(6)PS(5)Br renders these phases suitable for AS-LIBs. Joint structure refinements using high-resolution neutron and laboratory X-ray diffraction provide insight into the influence of disorder on the fast ionic conductivity. Besides the disorder in the lithium distribution, it is the disorder in the S(2-)/Cl(-) or S(2-)/Br(-) distribution that we find to promote ion mobility, whereas the large I(-) cannot be exchanged for S(2-) and the resulting more ordered Li(6)PS(5)I exhibits only a moderate conductivity. Li(+) ion migration pathways in the crystalline compounds are modelled using the bond valence approach to interpret the differences between argyrodites containing different halide ions. © 2012, Springer.en_AU
dc.identifier.citationRayavarapu, P. R., Sharma, N., Peterson, V. K., & Adams, S. (2012). Variation in structure and Li+-ion migration in argyrodite-type Li6PS5X (X = Cl, Br, I) solid electrolytes. Journal of Solid State Electrochemistry, 16(5), 1807-1813. doi:10.1007/s10008-011-1572-8en_AU
dc.identifier.govdoc4462en_AU
dc.identifier.issn1432-8488en_AU
dc.identifier.issue5en_AU
dc.identifier.journaltitleJournal of Solid State Electrochemistryen_AU
dc.identifier.pagination1807-1813en_AU
dc.identifier.urihttp://dx.doi.org/10.1007/s10008-011-1572-8en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5276en_AU
dc.identifier.volume16en_AU
dc.language.isoenen_AU
dc.publisherSpringeren_AU
dc.subjectLithiumen_AU
dc.subjectLithium ionsen_AU
dc.subjectChemical bondsen_AU
dc.subjectValenceen_AU
dc.subjectIonsen_AU
dc.subjectNeutron diffractionen_AU
dc.titleVariation in structure and Li+-ion migration in argyrodite-type Li6PS5X (X = Cl, Br, I) solid electrolytesen_AU
dc.typeJournal Articleen_AU
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