| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877692 | Journal of Molecular Graphics and Modelling | 2014 | 30 Pages |
Abstract
- Comparison of complexation behavior of graphyne-gold atom and clusters (Au2 and Au3) with graphene.
- Gold atom and its clusters have a good tendency for interaction with graphyne.
- In graphyne/graphene-Au2 complexes electrostatic term has dominant contribution (58%) respect to the covalent contribution (35%).
- Graphyne shows complex behavior in comparison to those of graphene and could also be useful in modeling of the next generation electronic devices.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Elmira Azizi, Zahra Aliakbar Tehrani, Zahra Jamshidi,