Journal of chemical theory and computation
From Clustered Motion to Percolation: Unveiling Correlated Lithium Ion Dynamics in Ionic Liquid Mixtures via an Ab Initio Force Field.
Seungwon Jeong, Donguk Shin, Chang Yun Son
Published: 202610.1021/acs.jctc.5c01679
Abstract
Understanding the local solvation structure and correlated ion motion in lithium salt/ionic liquid mixtures is critical for designing high-performance electrolytes. Accurately modeling the complex electrostatic environment of these concentrated syste…
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