Investigation of Glass-Ceramic Lithium Thiophosphate Solid Electrolytes Using NMR and Neutron Scattering.

ABSTRACT: Solid-state Li batteries require solid electrolytes which have high Li+ conductivity and good chemical/mechanical compatibility with Li metal anodes and high energy cathodes. Structure/function correlations which relate local bonding to macroscopic properties are needed to guide development of new solid electrolyte materials. This study combines diffraction measurements with solid-state nuclear magnetic resonance spectroscopy (ssNMR) and neutron pair distribution function (nPDF) analysis to probe the short-range vs. long-range structure of glass-ceramic Li3PS4-based solid electrolytes. This work demonstrates how different synthesis conditions (e.g., solvent selection and thermal processing) affect the resulting polyanionic network. More specifically, structures with high P coordination numbers (e.g., PS43- and P2S74-) correlate with higher Li+ mobility compared to other polyanions (e.g., (PS3)nn- chains and P2S64-). Overall, this work demonstrates how ssNMR and nPDF can be used to draw key structure/function correlations for solid-state superionic conductors.

SUBMITTER: Self EC 

PROVIDER: S-EPMC9004633 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature