Performances of nanotubes and nanocages as anodes in Na-ion battery, K-ion battery, and Mg-ion battery

Here, the abilities and potential of nanocages and nanotubes (C 60 , Al 30 N 30 , C 42 , B 21 P 21 , CNT(9, 0), AlNNT(9, 0), CNT(6, 0), BPNT(6, 0), S-C 60 , S-Al 30 N 30 , O-C 42 , O-B 21 P 21 , S-CNT(9, 0), S-AlNNT(9, 0), O-CNT(6, 0) and O-BPNT(6, 0)) as anodes in batteries are calculated by theoretical methods. The O- and S-doped nanocages and nanotubes have higher V cell and C theory than nanocages and nanotubes. The V cell and C theory of nanocages and nanotubes in Mg-ion batteries are higher than Na and K batteries. The V cell of O- and S-doped nanocages and nanotubes as anodes in K-, Na-, and Mg-ion batteries are lower than carbon nanotubes, BN nanotubes, and graphite derivatives in previous works. The O-BPNT(6, 0) and S-AlNNT(9, 0) in Mg-, Na-, and K-ion batteries have higher C theory than other nanocages and nanotubes. The O-BPNT(6, 0) and S-AlNNT(9, 0) are proposed as acceptable materials to use as anodes in in batteries with effective V cell and C theory values.