• 文献标题:   Computer simulation of thin nickel films on single-layer graphene
  • 文献类型:   Article
  • 作  者:   GALASHEVA AE, POLUKHINB VA
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   12
  • DOI:   10.1134/S1063783413110085
  • 出版年:   2013

▎ 摘  要

The energy, mechanical, and transport properties of nickel films on a single-layer graphene sheet in the temperature range 300 K a parts per thousand currency sign T a parts per thousand currency sign 3300 K have been investigated using the molecular dynamics method. The stresses generated in the plane of the metallic film are significantly enhanced upon deposition of another nickel film on the reverse side of the graphene sheet. In this case, the self-diffusion coefficient in the film plane above 1800 K, in contrast, decreases. An appreciable temperature elongation per unit length of the film also occurs above 1800 K and dominates in the "zigzag" direction of the graphene sheet. The vibrational spectra of the nickel films on single-layer graphene for horizontal and vertical displacements of the Ni atoms have very different shapes.