Management of fuel Optimization by means of hydrogen storage on Na-doped fullerene (A density functional theoretical study)

With growing demand for energy, rapid consumption of fossil energy resources andincreasing environmental pollution, there is an urgent need to develop the alternatives that areenvironmentally friendly and renewable [1]. Hydrogen is an ideal candidate as it is the mostabundant element in the universe and can be produced locally from numerous sources [2].Adsorption of Hydrogen molecule has been widely applied in highly porous materials such aszeolites, carbon nanotubes [3, 4], carbon nanoclusters [5, 6], and metal organic framework(MOF) materials [7].The aim of the present work is to study theoretically the hydrogen adsorption on the surfaceof fullerene C60 which is coated by alkali metal sodium, Na and the value of energy which isreleased by this procedure. The adsorption percent will also compare with otherinvestigations.