Résumé
The role of fundamental characteristics of porous systems (binding energy, specific surface area and multilayer adsorption) in designing an efficient hydrogen adsorbent is discussed. We analyze why the amount of hydrogen adsorbed in all known materials is much lower than required for mobile applications and what are possible strategies to increase it. Further we report new ab initio calculations demonstrating possible ways of chemical modification of graphene fragments which can lead to the substantial increase of hydrogen binding to the graphene-based surface. Such Open Carbon Frameworks, substituted and functionalized at the fragments' edge may theoretically adsorb, at ambient temperature and relatively low pressure (60–100 bar), the amount of hydrogen necessary for mobile applications.