Hydrogen adsorption on functionalized graphene Original Research Article

The hydrogen adsorption on basal graphite planes functionalized by hydrogen atoms is studied by molecular modeling and numerical simulation at temperatures of 77 K and 293 K up to high pressure. At 77 K and pressure of 1 MPa, on such an adsorbing surface, the excess hydrogen physisorption is estimated equal to image. At 293 K and 30 MPa, the excess physisorption reaches image. A comparison between the hydrogen adsorption properties of functionalized graphite basal planes and plain graphite basal planes is presented for materials exhibiting similar porosities.