Theoretical prediction of O-B2S2 monolayer as two-dimensional sodium-ion battery anode material by first-principles calculations

Key Points

• This research aims to predict the potential of O-B2S2 monolayer as an anode material for sodium-ion batteries using theoretical models.
• Conducted first-principles calculations to estimate the electrochemical performance of O-B2S2.
• Evaluated structural stability and electronic properties of the monolayer.
• O-B2S2 monolayer demonstrated improved electrical conductivity compared to conventional anode materials.
• Predicted high capacity and stable cycling performance, indicating a promising application in sodium-ion batteries.