• 文献标题:   Graphene-like BSi as a promising anode material for Li- and Mg-ion batteries: A first principle study
  • 文献类型:   Article
  • 作  者:   XIAO C, TANG XQ, PENG JF, DING YH
  • 作者关键词:   monolayer bsi, band structure, theoretical capacity, liion batterie, diffusion pathway
  • 出版物名称:   APPLIED SURFACE SCIENCE
  • ISSN:   0169-4332 EI 1873-5584
  • 通讯作者地址:  
  • 被引频次:   25
  • DOI:   10.1016/j.apsusc.2021.150278 EA JUN 2021
  • 出版年:   2021

▎ 摘  要

Monolayer BSi has been theoretically predicted as a phonon-mediated superconductor. The structural characteristics make two-dimensional (2D) BSi sheets an attractive anode material for rechargeable batteries as well as graphene. In this paper, the band structure, theoretical capacity, open circuit voltage and ion diffusion path of monolayer BSi are systematically investigated by first principle calculation. The monolayer BSi nanosheet exhibits theoretical capacities of 1374 mAhg(-1) and 2749 mAhg(-1) towards Li and Mg storage, respectively. The controllable volume change and high ion diffusion rate guarantee the high performance of monolayer BSi in Liand Mg-ion batteries. These results can help to understand the energy-storage mechanisms and evaluate the potential application of 2D BSi materials.