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

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发表日期：

2024年3月1日

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Mohamed J. Saadh,
Mohammed Ahmed Mustafa,
Khalid Mujasam Batoo,
Subhash Chandra,
Mandeep Kaur,
Sajjad Hussain,
Salim B. Alsaadi,
Ahmed Read Al-Tameemi,
Eftikhaar Hasan Kadhum,
Khaldoon T. Falih,
Laith H. Alzubaidi,
Yuan Liu,
Guang Su

摘要

Here, the abilities and potential of nanocages and nanotubes (C₆₀, Al₃₀N₃₀, C₄₂, B₂₁P₂₁, CNT(9, 0), AlNNT(9, 0), CNT(6, 0), BPNT(6, 0), S-C₆₀, S-Al₃₀N₃₀, O-C₄₂, O-B₂₁P₂₁, 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.