High hydrogen-adsorption-rate material based on graphane decorated with alkali metals

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