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In this study, the potential of C 32 , Si 32 and B 16 N 16 nanocages as anode electrodes of Li-, Na-and K-ion batteries via density functional theory was investigated. The effects of halogen-adoption of C 32 , Si 32 and B 16 N 16 on potentials of metal-ion batteries were examined. Results showed that B 16 N 16 as an anode electrode in metal-ion batteries has higher potential than C 32 and Si 32. Results illustrated that (i) a K-ion battery has higher cell voltage and higher performance than Li-and Na-ion batteries; (ii) halogen-adoption of nanocages increased the cell voltage of studied metal-ion batteries and (iii) F-adopted metal-ion batteries have higher cell voltage than Cl-and Br-adopted metal-ion batteries. Finally, F-B 15 N 16 as an anode electrode in K-ion batteries has the highest performance and it can be proposed as novel metal-ion batteries.