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
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
Journal title :
Chemical Physics Letters