Elucidation the role of Zr ordering on Li lattice dynamics of Li2ZrCl6 derivatives electrolytes for all-solid-state batteries
The development of fast Li conducting solid state electrolytes is essential for the next generation of all-solid-state batteries. Halide electrolytes are a promising family of materials, but the link between their crystal structure and Li kinetics is still not well understood, preventing new routes for further optimisation. We have synthesised a novel family of substituted Li2ZrCl6 halides based on non-critical low-cost elements and proved that conductivity is affected by the type and amount of dopant. Our preliminary simulations suggest that this could be associated with a certain degree of Zr disorder that facilitates a lithium divacancy mechanism in the ab plane, making the conduction pseudo-3D in the material. Temperature-dependent neutron diffraction studies are needed to elucidate key structural factors affecting Li dynamics in the lattice of these new highly conductive solid electrolytes.
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Raül Artal; AGUADERO Ainara; ANDERSEN Henrik Lyder; BARKER Kit; FERNANDEZ DIAZ Maria Teresa; JIMENEZ Ricardo and SEYMOUR Ieuan. (2023). Elucidation the role of Zr ordering on Li lattice dynamics of Li2ZrCl6 derivatives electrolytes for all-solid-state batteries. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-24-730
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