Effects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12

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dc.contributor.authorGu, Wen_AU
dc.contributor.authorEzbiri, Men_AU
dc.contributor.authorPrasada Rao, Ren_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorAdams, Sen_AU
dc.date.accessioned2020-11-30T00:24:10Zen_AU
dc.date.available2020-11-30T00:24:10Zen_AU
dc.date.issued2015-06-01en_AU
dc.date.statistics2020-11-16en_AU
dc.description.abstractDue to their high ionic conductivity and stability versus metallic lithium, garnet-related Li7La3Zr2O12 (LLZ) are of interest as Li+ solid electrolytes. The correlation between structure and ion mobility in undoped, Ta5 +, Nb5 +, Ga3 + or Al3 + doped LLZ is studied combining molecular dynamics (MD) simulations and experimental characterisation. Neutron and in situ XRD powder diffraction are employed to analyse the Li and dopant distribution and temperature dependence of the structure. Pentavalent doping enhances ionic conductivity by increasing the vacancy concentration and reducing local Li ordering. Trivalent doping Al3 + or Ga3 + on the Li site is slightly less effective in enhancing conductivity. Ga3 + doping on the La3 + site only helps to retain the cubic phase, but does not affect the mobile charge carrier concentration. The cooling rate after sintering is found to strongly affect both the ionic conductivity and its hysteresis on subsequent thermal cycling in the low temperature range, which can be attributed to local Li ordering as manifested by non-linear variations of the lattice parameters. © 2015 Elsevier B.V.en_AU
dc.identifier.citationGu, W., Ezbiri, M., Prasada Rao, R., Avdeev, M., & Adams, S. (2015). Effects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12. Solid State Ionics, 274, 100-105. doi:10.1016/j.ssi.2015.03.019en_AU
dc.identifier.issn0167-2738en_AU
dc.identifier.journaltitleSolid State Ionicsen_AU
dc.identifier.pagination100-105en_AU
dc.identifier.urihttps://doi.org/10.1016/j.ssi.2015.03.019en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/10033en_AU
dc.identifier.volume274en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectLithiumen_AU
dc.subjectLanthanumen_AU
dc.subjectZirconatesen_AU
dc.subjectRare earthsen_AU
dc.subjectAlkali metalsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectElectric conductivityen_AU
dc.subjectHysteresisen_AU
dc.titleEffects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12en_AU
dc.typeJournal Articleen_AU
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