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
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