Two-dimensional silicether: A promising anode material for sodium-ion battery

Sodium-ion batteries (SIBs) are expected to replace lithium-ion batteries as the next generation of commercial secondary batteries. However, the large-scale commercial use is hindered by the lack of suitable anode materials. Based on first-principles calculations, we systematically investigate the electrochemical performance of 2D silicether as an anode material for SIBs. It could turn to the metallic state from semiconductor after being intercalated with a low Na concentration of 0.056. Owing to the special groove-like structure of silicether, Na atom crosses a low energy barrier of 0.40 eV along the armchair direction. The theoretical storage capacity (418 mA h/ g), the average electron potential (2.22 V), and no significant volume expansion suggest that silicether has a great potential in SIBs. Moreover, bilayer silicether could preserve the performances of silicether monolayer, such as strong Na adsorption capability and fast ionic mobility. The above-mentioned appealing results make silicether a high-performance anode material for SIBs.

Automated summary

Based on first-principles calculations, the electrochemical performance of 2D silicether as a potential anode material for sodium-ion batteries (SIBs) is investigated. The unique groove-like structure of silicether allows for low energy barrier diffusion of sodium atoms. It exhibits a high theoretical storage capacity (418 mA h/g), a high average electron potential (2.22 V), and minimal volume expansion, making it a promising anode material for SIBs. Additionally, bilayer silicether retains the excellent properties of the monolayer.