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Lattice Dynamics in the NASICON NaZr₂(PO₄)₃ Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies.

ABSTRACT: Natrium super ionic conductor (NASICON) compounds form a rich and highly chemically tunable family of crystalline materials that are of widespread interest because they include exemplars with high ionic conductivity, low thermal expansion, and redox tunability. This makes them suitable candidates for applications ranging from solid-state batteries to nuclear waste storage materials. The key to an understanding of these properties, including the origins of effective cation transport and low, anisotropic (and sometimes negative) thermal expansion, lies in the lattice dynamics associated with specific details of the crystal structure. Here we closely examine the prototypical NASICON compound, NaZr₂(PO₄)₃, and obtain detailed insights into such behavior via var

SUBMITTER: Morgan EE

PROVIDER: S-EPMC9097157 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature

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Lattice Dynamics in the NASICON NaZr₂(PO₄)₃ Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies.

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Lattice Dynamics in the NASICON NaZr2(PO4)3 Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies.

OmicsDI is part of the ELIXIR infrastructure

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Lattice Dynamics in the NASICON NaZr₂(PO₄)₃ Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies.