Borophene as an extremely high capacity electrode material for Li-ion and Na-ion batteries

"Two-dimensional (2D) materials as electrodes" is believed to be the trend for future Li-ion and Na-ion battery technologies. Here, by using first-principles methods, we predict that the recently reported borophene (2D boron sheets) can serve as an ideal electrode material with high electrochemical performance for both Li-ion and Na-ion batteries. The calculations are performed on two experimentally stable borophene structures, namely β12 and χ3 structures. The optimized Li and Na adsorption sites are identified, and the host materials are found to maintain good electric conductivity before and after adsorption. Besides advantages including small diffusion barriers and low average open-circuit voltages, most…

• MO
  Ministry of Education - Singapore

  Award: MOE2015-T2-1-150
• SU
  Singapore University of Technology and Design

  Award: SUTD-SRG-EPD-2013062