Can C24N24 cavernous nitride fullerene be a potential anode material for Li-, Na-, K-, Mg-, Ca-ion batteries?

DFT calculations were carried out to determine the potential application of C24N24 cavernous nitride fullerene for the anode electrode for (Li/Na/K/Mg/Ca)-ion batteries (MIBs). Calculated results suggest the C24N24 fullerene as a promising anode material for all these metal-ion batteries. Furthermore, all six cavities of C24N24 fullerene can be decorated by metals, and the storage capacities of 516 and 258 mAh g(-1) are obtained for this fullerene. Consequently, both high cell voltages an storage capacity suggest the C24N24 fullerene as an appropriate anode material for alkali and alkali earth metal-ion batteries.

Automated summary

DFT calculations indicate that C24N24 cavernous nitride fullerene shows promising potential as an anode material for metal-ion batteries, with high storage capacities and suitability for alkali and alkali earth metal-ion batteries.