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

Chunyi Feng; Linsong Gao; Xiongfei Yun; Xiaoning Guan; Changcheng Chen; Gang Liu; Pengfei Lu

doi:10.1039/d5cp03688g

January 1, 2026Physical Chemistry Chemical Physics

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

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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.

Implication

Theoretical predictions reveal a new anode material for sodium-ion batteries, suggesting enhanced efficiency.

Abstract

Sodium-ion batteries (SIBs) have attracted considerable interest due to their affordability and plentiful natural resources. Nonetheless, their primary technical hurdle lies in pinpointing appropriate materials for anodes. This research involved...

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Cite This Study

Feng et al. (2026) studied this question.

synapsesocial.com/papers/69fecfe9b9154b0b82876eda https://doi.org/10.1039/d5cp03688g

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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