2021
DOI: 10.1007/s10854-021-05353-3
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Al-doped Li7La3Zr2O12 garnet-type solid electrolytes for solid-state Li-Ion batteries

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Cited by 26 publications
(9 citation statements)
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“…The dopant content in this study is controlled at 0.125, resulting in the doped LLZO formula of Li 6.625 A 0.125 La 3 Zr 16 O 12 (A = Ga, Al, and Fe). As supported by previous experimental studies, 22–25 c-LLZO doped with Ga, Al, or Fe maintains a consistent and stable cubic phase with such diluted dopant content. We employed first-principles density functional theory (DFT) calculations to identify the most energetically favorable configurations in accordance with the Li distribution principle to minimize the repulsion force 26 and considered two possible doping scenarios: replacing an existing Li atom or occupying an empty tetrahedral (24d) site.…”
Section: Introductionsupporting
confidence: 74%
“…The dopant content in this study is controlled at 0.125, resulting in the doped LLZO formula of Li 6.625 A 0.125 La 3 Zr 16 O 12 (A = Ga, Al, and Fe). As supported by previous experimental studies, 22–25 c-LLZO doped with Ga, Al, or Fe maintains a consistent and stable cubic phase with such diluted dopant content. We employed first-principles density functional theory (DFT) calculations to identify the most energetically favorable configurations in accordance with the Li distribution principle to minimize the repulsion force 26 and considered two possible doping scenarios: replacing an existing Li atom or occupying an empty tetrahedral (24d) site.…”
Section: Introductionsupporting
confidence: 74%
“…Consequently, it will prevent the body from producing impurity phases by lowering the amount of lithium that evaporates during the flash sintering process. Other techniques, including conventional sintering, employ higher temperatures, which evaporate more lithium during the sintering process [54].…”
Section: Resultsmentioning
confidence: 99%
“…Lithium-ion conductivity values of Al-doped solid electrolytes are equal to ~10 −4 S/cm at 25 °C [ 20 , 28 ]. Li 7−3x Al x La 3 Zr 2 O 12 solid electrolytes were obtained by various methods (solid-state reaction, sol–gel, spark plasma sintering, self-consolidation method) and under different final heat-treatment conditions, which have a significant effect on the lithium content in the compound, the stabilization of highly conductive cubic modification, the phase composition and density of ceramic membranes, and, as a result, on the total conductivity of the obtained solid electrolytes [ 20 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 ]. Rangasamy et al [ 36 ] studied the effect of the Li and Al ions concentration on the cubic LLZ formation.…”
Section: Resultsmentioning
confidence: 99%
“…Ga 3+ is another successfully used doping element [ 20 , 47 , 48 , 49 , 50 , 51 , 52 , 53 ]. The effect of Ga-doping on the structure of garnet-type LLZ was investigated using force-field-based simulation [ 49 ].…”
Section: Resultsmentioning
confidence: 99%
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