Zinc oxide and germanium dioxide adsorbed on silicon nanocage as anodes in lithium-ion battery and potassium-ion battery

In the current study, the Si 48 , ZnO-Si 48 , and GeO 2 -Si 48 compounds as anodes in LIB and KIB are used and their performances through theoretical methods are investigated. Results indicated that top silicon site of Si 48 is an acceptable position to ZnO and GeO 2 adsorption. The G ad , E BG , q , and V cell values of complexes of metal ions and studied nanocages are compared. Results indicated that ZnO and GeO 2 can increase the V cell of Si 48 as anodes in LIB and KIB, significantly. Finally, Si 48 -GeO 2 with high V cell and q values as anodes in LIB and KIB is suggested to use in storage machines.