| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7960655 | Computational Materials Science | 2014 | 5 Pages |
Abstract
- Sulfur hexafluoride (SF6) is an environmental problem.
- We used DFT and molecular dynamics to study the adsorption of SF6 on two surfaces.
- We considered pristine graphene and graphene-Ti (C2Ti), at 77Â K, and atmospheric pressure.
- SF6 is always physisorbed on the pristine graphene surface, and desorbs at 420Â K.
- On the graphene-titanium (C2Ti) surface, SF6 is always chemisorbed and completely dissociated.
Keywords
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
I. Carrillo, J.M. RamÃrez-de-Arellano, L.F. Magana,