• 文献标题:   Low dimensional features of graphene nanostructure stability and vibrational characteristics (Review)
  • 文献类型:   Review
  • 作  者:   GOSPODAREV IA, SIRENKO VA, SYRKIN ES, FEODOSYEV SB, MINAKOVA KA
  • 作者关键词:   graphite, graphene nanofilms nanotube, defect, density of phonon state, phonon heat capacity, rootmeansquare displacement of atom, thermal expansion
  • 出版物名称:   LOW TEMPERATURE PHYSICS
  • ISSN:   1063-777X EI 1090-6517
  • 通讯作者地址:   Natl Acad Sci Ukraine
  • 被引频次:   0
  • DOI:   10.1063/10.0000706
  • 出版年:   2020

▎ 摘  要

The densities of phonon states and their related vibrational thermodynamic characteristics, such as heat capacity, root-mean-square displacement of atoms, and thermal expansion, are calculated and analyzed at the microscopic level for graphite and graphene nanoformations, such as nanofilms and nanotubes. The simulation model is based on experimental data without a priori assumptions as to the nature and potentials of interatomic interactions, and is compared to them only after, which yields a good agreement. The quasi-flexural and torsional modes, which are inherent to graphene nanotubes, are considered and their contribution to the low temperature vibrational characteristics are analyzed. The impact that extended defects, such as graphite intercalation with transition metals, step-edges on graphene nanofilms, and edges of a graphene single layer on a substrate, have on the phonon spectrum and vibrational characteristics is analyzed. The calculated results are compared to the experimental data.