Theoretical study of the effect of a solvent on the adsorption of pt atom on a graphene surface

A theoretical study of the adsorption of Pt atom on a graphene surface in different solvent environments was conducted. The study used density functional theory calculations along with a conductor-like screening model (COSMO) method, in which the solute molecule is covered by a dielectric continuum with a permittivity that represents the solvent. Solvent environments of water, methanol and ethanol were considered. The results showed that that the charge transfer from the Pt atom to the graphene surface was stronger and that system was more stable in the solvent environments than in vacuum. The observed solvent effects on both the electronic structure and the stability suggest different catalytic activities of the system in different solvent environments.