fig7
Figure 7. Li+ migration mechanism in crystalline and glassy ZIF-62. Atom position distribution of Li in (A) ZIF-62 crystal and (B) ZIF-62 glass; (C) Li MSD in crystalline and glassy ZIF-62 during 5 ps; (D and E) Structural snapshots of Li+ migration in ZIF-62 crystal and ZIF-62 glass from AIMD simulations. Movement trajectories of Li element in (F) ZIF-62 crystal and (G) ZIF-62 glass; (H) RDF of Li-N in ZIF-62 crystal and ZIF-62 glass. The yellow curves in (A), (B), (F) and (G) represent the movement trajectories of Li ions. This figure is quoted with permission from reference[53]. Copyright 2025, Wiley-VCH GmbH. RDF: Radial distribution function; AIMD: ab initio molecular dynamics.




