A theory of Li+ solvation in the Helmholtz layer, parameterized from bulk MD, finds binding probabilities remain equal to bulk values, supporting bulk solvation as a proxy for SEI studies.
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Theory for SiIL electrical double layers predicts increased aggregation at positive voltages and alkali cation exchange at large negative voltages due to Cayley tree associations.
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Theory of Cation Solvation in the Helmholtz Layer of Li-ion Battery Electrolytes
A theory of Li+ solvation in the Helmholtz layer, parameterized from bulk MD, finds binding probabilities remain equal to bulk values, supporting bulk solvation as a proxy for SEI studies.
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Electric Field Induced Associations in the Double Layer of Salt-in-Ionic-Liquid Electrolytes
Theory for SiIL electrical double layers predicts increased aggregation at positive voltages and alkali cation exchange at large negative voltages due to Cayley tree associations.