The B3S monolayer as a high-capacity anode material for sodium-ion batteries: First-principles density functional theory approach

Electrode materials with appropriate mechanical, electronic and structural attributes are prerequisites for next generation renewable energy technology. An essential stage in development of batteries to achieve superior performance is selecting an appropriate anode material. In this research, application of B 3 S monolayer for anode materials has been investigated employing first-principles-based DFT. For B 3 S monolayer, as an anode material, it is anticipated to have high performance with a low sodium diffusion barrier (E a