• 文献标题:   In-plane elastic properties of raw and doped graphene-like BSi: a first principle study
  • 文献类型:   Article
  • 作  者:   XIAO C, PENG JF, DING YH, XIAO F
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF MATERIALS SCIENCE
  • ISSN:   0022-2461 EI 1573-4803
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1007/s10853-022-06870-0 EA FEB 2022
  • 出版年:   2022

▎ 摘  要

Monolayer BSi has received much attention due to its potential applications in the field of energy storage and superconductivity. However, the mechanical properties of monolayer BSi have not been fully elucidated yet. In this paper, the morphology, elastic constants and Young's moduli of raw and C, N, P, and S doped monolayer BSi have been investigated by the first principle density functional theory (DFT) calculation. The monolayer BSi exhibits an anisotropic mechanical performance. The results indicate that the C, N, P and S doping affect the value of Young's modulus of BSi, as well as the modulus distribution.