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Grain Boundary Contributions to Li-Ion Transport in the Solid Electrolyte Li7La3Zr2O12 (LLZO)
| Content Provider | Semantic Scholar |
|---|---|
| Author | Yu, Seungho Siegel, Donald J. |
| Copyright Year | 2017 |
| Abstract | The oxide with nominal composition Li7La3Zr2O12 (LLZO) is a promising solid electrolyte thanks to its high (bulk) Li-ion conductivity, negligible electronic transport, chemical stability against Li metal, and wide electrochemical window. Despite these promising characteristics, recent measurements suggest that microstructural features, specifically, grain boundaries (GBs), contribute to undesirable short-circuiting and resistance in polycrystalline LLZO membranes. Toward the goal of understanding GB-related phenomena, the present study characterizes the energetics, composition, and transport properties of three low-energy (Σ3 and Σ5) symmetric tilt GBs in LLZO at the atomic scale. Monte Carlo simulations reveal that the GB planes are enriched with Li, and to a lesser extent with oxygen. Molecular dynamics simulations on these off-stoichiometric boundaries were used to assess Li-ion transport within and across the boundary planes. We find that Li transport is generally reduced in the GB region; however, th... |
| Starting Page | 9639 |
| Ending Page | 9647 |
| Page Count | 9 |
| File Format | PDF HTM / HTML |
| DOI | 10.1021/acs.chemmater.7b02805 |
| Volume Number | 29 |
| Alternate Webpage(s) | http://www-personal.umich.edu/~djsiege/Energy_Storage_Lab/Publications_files/CM_LLZO_GB.pdf |
| Alternate Webpage(s) | https://doi.org/10.1021/acs.chemmater.7b02805 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
