  The graphane with chemically bonded alkali metals (Li, Na, K) was considered
as potential material for hydrogen storage. The ab initio calculations show
that such material can adsorb as many as 4 hydrogen molecules per Li, Na and K
metal atoms. These values correspond to 12.20 wt%, 10.33 wt% and 8.56 wt% of
hydrogen, respectively and exceed the DOE requirements. The thermodynamic
analysis shows that Li-graphane complex is the most promising for hydrogen
storage with ability to adsorb 3 hydrogen molecules per metal atom at 300 K and
pressure in the range from 5 to 250 atm.
