• 文献标题:   Enthalpy of Formation of Single- and Multilayer Graphene
  • 文献类型:   Article
  • 作  者:   GUBIN SA, MAKLASHOVA IV, ZAKATILOVA EI
  • 作者关键词:   graphene, phase transition of carbon, nanodiamond, enthalpy of formation
  • 出版物名称:   RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • ISSN:   0036-0244 EI 1531-863X
  • 通讯作者地址:   Natl Res Nucl Univ
  • 被引频次:   6
  • DOI:   10.1134/S0036024415080130
  • 出版年:   2015

▎ 摘  要

An approximate equation of state of nanocarbon is used to estimate changes in the enthalpy of formation of single- and multilayer graphene and the graphene-nanodiamond phase equilibrium pressure as a function of geometrical shape, number of layers, and size of a graphene nanoparticle. It is found that upon an increase in the number of layers in graphene with particle sizes of 100-300 nm, the phase equilibrium pressure falls and tends to that of graphite-diamond equilibrium. An agreement between the estimations, the data from MD simulations of the graphene-nanodiamond phase equilibrium, and experimentally measured parameters of the graphene-nanodiamond phase transition was obtained.