Carbon and Silicon Nano-Clusters as Anode Electrodes of Metal Ion Batteries

The ability of silicon nanocage (Si-78) and carbon nanocage (C-72) in batteries are examined in order to propose novel nano materials as anode in batteries with high performances. The B15C57, Al15C57, B36Si42 and Al36Si42 nanocages are the most stable structures. The G(ad) of B15C57, Al15C57, B36Si42 and Al36Si42 as anodes of lithium-ion (Li-ion) battery are higher than other batteries. The V-cell of B doped nanocages as anodes of Zn-ion and Mg-ion batteries are higher than Al doped nanocages. The B and Al adoption of C-72 and Si-78 can increase the V-cell of Zn-ion and Mg-ion batteries. The B and Al adoption of C-72 and Si-78 can improve the electrochemistry properties of metal-ion batteries. The B15C57 and B36Si42 as effective anodes in metal-ion batteries are suggested.