• 文献标题:   SIZE OF METAL NANOPARTICLES AS A DECISIVE FACTOR IN THE FORMATION OF NICKEL - GRAPHENE COMPOSITE: MOLECULAR DYNAMICS
  • 文献类型:   Article
  • 作  者:   SAFINA LR, MURZAEV RT
  • 作者关键词:   crumpled graphene, ni nanoparticle, nickelgraphene composite, hydrostatic compression, molecular dynamic
  • 出版物名称:   JOURNAL OF STRUCTURAL CHEMISTRY
  • ISSN:   0022-4766 EI 1573-8779
  • 通讯作者地址:  
  • 被引频次:   3
  • DOI:   10.1134/S0022476621050152
  • 出版年:   2021

▎ 摘  要

The size effect of nickel nanoparticles on the process of nickel-graphene composite formation is studied by molecular dynamics. It is shown that the best mixing of single structural elements in the general structure is achieved at high temperatures which cause fluctuations resulting in additional chemical bonds between graphene flakes. However, particle size is one of the most important structural factors affecting the composite structure: larger nanoparticles maintain their spherical shape even at high temperatures and prevent the formation of a uniform composite structure. The obtained results enrich our understanding of processes underlying the formation of composites based on crumpled graphene and metal nanoparticles.