Crystal Structure of Garnet-Related Li-Ion Conductor Li7-3x Ga x La3Zr2O12 : Fast Li-Ion Conduction Caused by a Different Cubic Modification?

Li-oxide garnets such as Li7La3Zr2O12 (LLZO) are among the most promising candidates for solid-state electrolytes to be used in next-generation Li-ion batteries. The garnet-structured cubic modification of LLZO, showing space group Ia-3d, has to be stabilized with supervalent cations. LLZO stabilize...

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Veröffentlicht in:Chemistry of materials : a publication of the American Chemical Society. - 1998. - 28(2016), 6 vom: 22. März, Seite 1861-1871
1. Verfasser: Wagner, Reinhard (VerfasserIn)
Weitere Verfasser: Redhammer, Günther J, Rettenwander, Daniel, Senyshyn, Anatoliy, Schmidt, Walter, Wilkening, Martin, Amthauer, Georg
Format: Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Chemistry of materials : a publication of the American Chemical Society
Schlagworte:Journal Article
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245 1 0 |a Crystal Structure of Garnet-Related Li-Ion Conductor Li7-3x Ga x La3Zr2O12  |b Fast Li-Ion Conduction Caused by a Different Cubic Modification? 
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520 |a Li-oxide garnets such as Li7La3Zr2O12 (LLZO) are among the most promising candidates for solid-state electrolytes to be used in next-generation Li-ion batteries. The garnet-structured cubic modification of LLZO, showing space group Ia-3d, has to be stabilized with supervalent cations. LLZO stabilized with Ga3+ shows superior properties compared to LLZO stabilized with similar cations; however, the reason for this behavior is still unknown. In this study, a comprehensive structural characterization of Ga-stabilized LLZO is performed by means of single-crystal X-ray diffraction. Coarse-grained samples with crystal sizes of several hundred micrometers are obtained by solid-state reaction. Single-crystal X-ray diffraction results show that Li7-3x Ga x La3Zr2O12 with x > 0.07 crystallizes in the acentric cubic space group I-43d. This is the first definite record of this cubic modification for LLZO materials and might explain the superior electrochemical performance of Ga-stabilized LLZO compared to its Al-stabilized counterpart. The phase transition seems to be caused by the site preference of Ga3+. 7Li NMR spectroscopy indicates an additional Li-ion diffusion process for LLZO with space group I-43d compared to space group Ia-3d. Despite all efforts undertaken to reveal structure-property relationships for this class of materials, this study highlights the potential for new discoveries 
650 4 |a Journal Article 
700 1 |a Redhammer, Günther J  |e verfasserin  |4 aut 
700 1 |a Rettenwander, Daniel  |e verfasserin  |4 aut 
700 1 |a Senyshyn, Anatoliy  |e verfasserin  |4 aut 
700 1 |a Schmidt, Walter  |e verfasserin  |4 aut 
700 1 |a Wilkening, Martin  |e verfasserin  |4 aut 
700 1 |a Amthauer, Georg  |e verfasserin  |4 aut 
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