• Title of article

    What are the possible structures for CNx compounds? The example of C3N

  • Author/Authors

    Sandré، نويسنده , , ةric and Pickard، نويسنده , , Chris J. and Colliex، نويسنده , , Christian، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    8
  • From page
    53
  • To page
    60
  • Abstract
    It has been proposed that carbon nitride compounds could present abnormal mechanical properties. Until now, these compounds have only been synthesized as amorphous films and the search for their structure is a live topic. Using ab-initio calculations, we propose a few stable structures which could be in dynamical equilibrium. We suggest that CNx (x=0.33) structural arrangements dynamically equilibrate over the time which is necessary to perform a structural measurement and that more than one structure could be needed to describe them.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2000
  • Journal title
    Chemical Physics Letters
  • Record number

    1772467