Potential of Si14Ge14 and B14P14 nanocages as electrodes of metal-ion batteries: a theoretical investigation

Abstract

In this study, the potential of Si14Ge14 and B14P14 as anode electrodes in metal-ion batteries by using of the density functional theory was investigated. The effects of halogen adsorption of the Si14Ge14 and B14P14 on potential of metal-ion batteries were examined. Results indicated that the B14P14 as anode in metal-ion batteries has higher potential than Si14Ge14. Results have shown that the K-ion battery has higher cell voltage and higher potential than Li-ion and Na-ion batteries. Results shown that the halogen adsorption of nanocages increases the cell voltage of studied metal-ion batteries. Results displayed that the F-metal-ion batteries have higher cell voltage and higher performance than Cl- and Br-metal-ion batteries. Finally, the F-B13P14 as anode electrode in the K-ion battery has the highest potential in industry.