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Experiments and simulations found that directing the synthesis of the solid electrolyte Li0.3La0.57TiO3 (LLTO) yields a 500-fold increase in grain boundary conductivity. Achieving higher grain boundary conductance provides a pathway toward all-solid-state batteries by overcoming slow diffusion kinetics that limits the charge/discharge performance.
The controlled addition of Li precursors, and preordering of La-Ti, drive the segregation of Li to grain boundaries that influence ion motion. Density-functional theory calculations of reaction steps explain intermediates in synthesis that promote cation ordering. Compositional analysis shows that LLTO structure can accommodate up to 50% Li vacancies, explaining reported variations in ionic conductivity through the grains.DOI:
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