Probing distribution and dynamics of lithium ions in supermolecule β-CD-PEO/Li⁺ solid polymer electrolytes via solid-state NMR

In this work, the distribution and dynamics of Li⁺ ions in β-CD-PEO/Li⁺ (β-CD, β-cyclodextrin; PEO, polyethylene-oxides) crystalline polymer electrolytes were investigated by solid-state NMR to enlighten the ionic conduction mechanism. Specifically, ⁷Li-⁶Li REDOR NMR and variable-contact-time ¹H-⁶Li CP/MAS NMR were adopted for the study. The results demonstrate that Li⁺ ions coordinated by polymer chains have relatively compact spatial density and fast dynamics, which facilitate the improvement of the electrochemical properties. Additionally, the variation of the distribution and dynamics of the Li⁺ ions and the ionic conduction mechanism were studied and discussed by altering the amount of the Li⁺ ions. This work deepens our understanding of the distribution and dynamics of Li⁺ ions in β-CD-PEO/Li⁺ crystals and demonstrates possible future applications of solid-state NMR on the study of the polymer electrolytes.