Research on application properties of semiconductor optoelectronic material B2S3 in ion battery.

In order to meet the requirements of new renewable energy technologies for electrode materials with appropriate structural, electronic, and mechanical properties, first principles calculations were used to study the electrochemical properties and potential applications of B₂S₃ semiconductor optoelectronic materials with dynamic, mechanical, and thermal stability. The research results indicate that as an anode material, B₂S₃ monolayer has suitable storage capacity (Li: 227.2 mAh/g; Na: 340.8 mAh/g), ultra-low diffusion barrier (Li: 0.23 eV; Na: 0.14 eV), and low average open circuit voltage (Li: 0.515 eV; Na: 0.162 eV). It has relatively small lattice changes (Li: 2.5%; Na: 2.1%) during charge and discharge processes. Under different concentrations of lithium/sodium ion adsorption, the metal properties of B₂S₃ monolayer remain unchanged, exhibiting good conductivity and battery stability. This study indicates that B₂S₃ semiconductor optoelectronic material is an attractive anode candidate material for lithium/sodium ion batteries. The excellent properties of B₂S₃ monolayer can further explore its application as an anode material for lithium/sodium ion batteries. [ABSTRACT FROM AUTHOR]