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Updated: Feb 24, 2026

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
Published on: August 12, 2013
Li@organic superhalogens: possible electrolytes in Li-ion batteries
G Naaresh Reddy1, Rakesh Parida, Santanab Giri
1Department of Chemistry, National Institution of Technology Rourkela, Rourkela-769008, India. giris@nitrkl.ac.in.
Abstract:
Inorganic superhalogens are commonly used as anionic counterparts in Li-ion batteries. In an endeavour to prepare better electrolytes, we have modelled the anionic part with different organic heterocyclic-based superhalogens. First principles calculations on those organic superhalogens reveal that the Li-binding energy is at par with that of the Li-salt of a common electrolyte. Out of five different halogen free organic heterocycles, Li[C3BN2(NO2)4] and Li[C2BNO(NO2)3] are found to be mostly suitable as electrolytes in Li-ion batteries. Molecular dynamics simulation studies on C2BNO(NO2)3-, C3BN2(NO2)4-, Li[C2BNO(NO2)3] and Li[C3BN2(NO2)4] also reveal that the structures are dynamically stable.
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