Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes
Citations Over TimeTop 10% of 2015 papers
Abstract
Garnet-type Li7La3Zr2O12 (LLZrO) is a candidate solid electrolyte material that is now being intensively optimized for application in commercially competitive solid state Li+ ion batteries. In this study we investigate, by force-field-based simulations, the effects of Ga3+ doping in LLZrO. We confirm the stabilizing effect of Ga3+ on the cubic phase. We also determine that Ga3+ addition does not lead to any appreciable structural distortion. Li site connectivity is not significantly deteriorated by the Ga3+ addition (>90% connectivity retained up to x = 0.30 in Li7–3xGaxLa3Zr2O12). Interestingly, two compositional regions are predicted for bulk Li+ ion conductivity in the cubic phase: (i) a decreasing trend for 0 ≤ x ≤ 0.10 and (ii) a relatively flat trend for 0.10 < x ≤ 0.30. This conductivity behavior is explained by combining analyses using percolation theory, van Hove space time correlation, the radial distribution function, and trajectory density.
Related Papers
- → Proton conductivity and stability of Cs2HPW12O40 electrolyte at intermediate temperatures(2005)39 cited
- → Hole conductivity in the electrolyte of proton-conducting SOFC: Mathematical model and experimental investigation(2019)15 cited
- Factors affecting the ion conductivity of organic electrolyte for Li-ion batteries(2005)
- → Refining of gallium using gallium beta-alumina(1979)9 cited
- Study of Extracting Gallium from Shuangyashan Iron Mine Containing Gallium(2007)