A Comparative View of Alkaline and Alkaline-Earth Element Intercalation into Perovskite-Type AxLayTiO3 (A = Li, Na, or Mg) Based on Theoretical Calculations and Experiments
Autor
Pérez-Vicente, C.
Medina, Alejandro
Alcántara, Ricardo
Editor
ACSFecha
2022Materia
Lithium batteriesSodium batteries
Magnesium batteries
Li0.5La0.5TiO3
First-principles computation
Ionic conductivity
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Perovskite-type titanates are candidates as a solid-state electrolyte for alkali metal-ion
batteries, although their composition, synthesis temperature, microstructure, and cationic disorder
influence on their ionic conductivity must be optimized. On the other hand, it is less known that
perovskite-type lithium lanthanum titanate is interesting as electrode material for lithium batteries.
Its reversible capacity is strongly affected by the ion distribution. Having this in mind, we have
evaluated titanate perovskites AxLayTiO3, with A = Li, Na and (x + y) ≤ 1, as electrode active
material for lithium, sodium, and magnesium batteries. We discuss whether the structure has
available sites for further intercalation of univalent (lithium and sodium) and divalent (magnesium)
cations. Using both theoretical calculations and experimental results, it is concluded and justified that AxLayTiO3 is very suitable as an electrode for lithium batteries at room temperature, but not for sodium and magnesium batteries