Lithium ions are highly concentrated in super capacitors and lithium battery

and to construct an accurate interaction model for lithium ions plays an important guiding role in predicting the performance of super capacitors and lithium battery and designing of electrode material. In this work

the interaction model was established for lithium ion in super capacitors and lithium battery by employing quantum density functional theory. It was focused on the characteristics and the solvation effect on the van der Waals interaction between lithium ions. It was revealed that the Coulombic repulsion was highly screened by the van der Waals interaction

and the solvation effect resulted a prodigious contribution to the van der Waals interaction. The molecular interaction model for lithium ion in different solvents was established by numerical fitting (primitive model). Besides

the three-body interaction for lithium ions was also considered and was revealed that the three-body interaction was an attraction

which was effective only when the ions were highly concentrated.