• Title of article

    Can graphynes turn into graphene at room temperature?

  • Author/Authors

    Xu، نويسنده , , Yi-Guo and Ming، نويسنده , , Chen and Lin، نويسنده , , Zheng-Zhe and Meng، نويسنده , , Fan-Xin and Zhuang، نويسنده , , Jun-Song Ning، نويسنده , , Xi-Jing، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    8
  • From page
    283
  • To page
    290
  • Abstract
    The thermal stability of α-, β-, 6,6,12-graphyne and graphdiyne was studied by a statistic model, which was seriously tested by classical molecular dynamics (MD) simulations. By first-principle calculations of related potential energy curves (PEC), the model predicts that all the lifetime of free-standing single layer graphynes is more than 1044 years at room temperature. The sheets are predicted to be very stable even if the temperature gets up to 1000 K, but they quickly turn into graphene if the temperature is above 2000 K.
  • Journal title
    Carbon
  • Serial Year
    2014
  • Journal title
    Carbon
  • Record number

    1927653