English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Lithium-ion transport is significantly retarded in ionic liquids (ILs). Inthis work, we performed extensive molecular dynamics (MD) simulations to mimicthe kinetics of lithium ions in ILs using[\emph{N}-methyl-\emph{N}-propylpyrrolidium(pyr$_{13}$)][bis(trifluoromethanesulfonyl)imide (Ntf$_{2}$)] with addedLiNtf$_{2}$ salt. And we analyzed their transport, developing a two-state modeland comparing it to the machine learning-identified states. The transport oflithium ions involves local shell exchanges of the Ntf$_{2}$ in the medium. Wecalculated train size distributions over various time scales. The train sizedistribution decays as a power law, representing non-Poissonian bursty shellexchanges. We analyzed the non-Poissonian processes of lithium ions transportas a two-state (soft and hard) model. We analytically calculated the transitionprobability of the two-state model, which fits well to the lifetimeautocorrelation functions of LiNtf$_{2}$ shells. To identify two states, weintroduced the graph neutral network incorporating local molecular structure.The results reveal that the shell-soft state mainly contributes to thetransport of the lithium ions, and their contribution is more important in lowtemperatures. Hence, it is the key for enhanced lithium ion transport toincrease the fraction of the shell-soft state.

Anomalous Diffusion of Lithium-Anion Clusters in Ionic Liquids