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DOE OSTI · 1657953

A new halospinel superionic conductor for high-voltage all solid state lithium batteries

Zhou, Laidong·Kwok, Chun Yuen·Shyamsunder, Abhinandan·Zhang, Qiang·Wu, Xiaohan·Nazar, Linda F.
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Abstract

We report a new Li-superionic chloride, Li 2 Sc 2/3 Cl 4 , that crystallizes in a disordered spinel structure, and exhibits an ionic conductivity of 1.5 mS cm –1 with a low activation energy barrier for Li + ion diffusion of 0.34 eV. Here, this material is the first spinel-type superionic halide. Structural elucidation via powder neutron diffraction reveals a significantly disordered Li + -ion distribution over available tetrahedral and octahedral sites within the lattice, forming an infinitely 3D connected Li + ion diffusion pathway comprised of face-sharing octahedra and tetrahedra. Due to the high oxidative stability of Li 2 Sc 2/3 Cl 4 , all solid state lithium batteries employing Li 2 Sc 2/3 Cl 4 and high voltage cathodes (LiCoO 2 , LiNi 0.6 Mn 0.2 Co 0.2 O 2 or high-Ni LiNi 0.85 Mn 0.1 Co 0.05 O 2 ) – without any coating – exhibit excellent electrochemical performance up to 4.6 V in terms of capacity retention and cycle life.

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Zhou, Laidong, Kwok, Chun Yuen, Shyamsunder, Abhinandan, Zhang, Qiang, Wu, Xiaohan, Nazar, Linda F.. 2020-06-10. A new halospinel superionic conductor for high-voltage all solid state lithium batteries. https://doi.org/10.1039/d0ee01017k

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