  The electrolytes used in Lithium Ion Batteries (LIBs) such as LiBF4, LiPF6
etc. are Li-salts of some complex anions, BF4-, PF6- etc. The investigation
shows that the vertical detachment energy (VDE) of these anions exceeds to that
of halogen, and therefore they behave as superhalogen anions. Consequently, it
might be possible to design new electrolytic salts using other superhalogen
anions. We have explored this possibility using Li-salts of various
superhalogen anions such as BO2-, AlH4-, TiH5- and VH6- as well as hyperhalogen
anions, BH4-y(BH4)y-(y = 1 to 4). Our density functional calculations show that
Li-salts of these complex anions possess similar characteristics as those of
electrolytic salts in LIBs. Note that they all are halogen free and hence,
non-toxic and safer than LiBF4, LiPF6 etc. In particular, LiB4H13 and LiB5H16
are two potential candidates for electrolytic salt due to their smaller
Li-dissociation energy ({\Delta}E) than those of LiBF4, LiPF6 etc. We have also
noticed that {\Delta}E of LiBH4-y(BH4)y varies inversely with the VDE of
BH4-y(BH4)y- anions, which increases with the increase in y. These findings may
guide experimentalists and future researchers to design and synthesize more
efficient and environment friendly electrolytic salts for LIBs.
