▎ 摘　　要

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 similar to 7.0 wt%. At 293 K and 30 MPa, the excess physisorption reaches similar to 1.5 wt%. A comparison between the hydrogen adsorption properties of functionalized graphite basal planes and plain graphite basal planes is presented for materials exhibiting similar porosities. (C) 2011 Published by Elsevier Ltd.