• 文献标题:   A graphene-MXene complex compound and graphite-like BC2
  • 文献类型:   Article
  • 作  者:   HAYAMI W, TANAKA T
  • 作者关键词:   borocarbide, graphene, mxene, lithiumion battery
  • 出版物名称:   SOLID STATE SCIENCES
  • ISSN:   1293-2558 EI 1873-3085
  • 通讯作者地址:   Natl Inst Mat Sci
  • 被引频次:   0
  • DOI:   10.1016/j.solidstatesciences.2020.106170
  • 出版年:   2020

▎ 摘  要

This review discusses the ternary borocarbide Sc2B1.1C3.2 and graphite-like (g-) BC2. Sc(2)B(1.1)C(3.2 )has a layered structure in which two types of layers, graphene-like BC2 and MXene-like Sc2C, are stacked alternately; hence, Sc2B1.1C3.2 can be regarded as a graphene-MXene complex compound. The X-ray diffraction structural analysis was ambiguous due to the close atomic numbers of B and C; however, the most stable structure determined by first-principles calculations had B atoms in the BC2 layer arranged in a root 3 x -root 3-R30 degrees superlattice which was an intermediate between the already known BC3 and BC structures. Bulk g-BC2 has also been studied for potential application as the anode of Li-ion batteries. Calculation of the intercalation potential revealed that Li atoms can be intercalated into BC2 to yield Li1.5BC2, which has a specific capacity approximately 3.1 times that of graphite (LiC6).