Adsorption of sulfur hexafluoride on graphene and on graphene with high titanium coverage

- 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 77 K, and atmospheric pressure.
- SF6 is always physisorbed on the pristine graphene surface, and desorbs at 420 K.
- On the graphene-titanium (C2Ti) surface, SF6 is always chemisorbed and completely dissociated.