Abstract
| - High-resolution solid-state 7Li NMR was used to characterize the structure and dynamics of lithium ion transportin monoclinic Li3V2(PO4)3. Under fast magic-angle spinning (MAS) conditions (25 kHz), three resonancesare clearly resolved and assigned to the three unique crystallographic sites. This assignment is based on theFermi-contact delocalization interaction between the unpaired d-electrons at the vanadium centers and thelithium ions. One-dimensional variable-temperature NMR and two-dimensional exchange spectroscopy (EXSY)are used to probe Li mobility between the three sites. Very fast exchange, on the microsecond time scale,was observed for the Li hopping processes. Activation energies are determined and correlated to structuralproperties including interatomic Li distances and Li−O bottleneck sizes.
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