TY - JOUR
T1 - High hydrogen-adsorption-rate material based on graphane decorated with alkali metals
AU - Antipina, Liubov Yu
AU - Avramov, Pavel V.
AU - Sakai, Seiji
AU - Naramoto, Hiroshi
AU - Ohtomo, Manabu
AU - Entani, Shiro
AU - Matsumoto, Yoshihiro
AU - Sorokin, Pavel B.
PY - 2012/8/20
Y1 - 2012/8/20
N2 - 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 four hydrogen molecules per Li, Na, and K metal atom. These values correspond to 12.20, 10.33, 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 three hydrogen molecules per metal atom at 300 K and pressure in the range of 5-250 atm.
AB - 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 four hydrogen molecules per Li, Na, and K metal atom. These values correspond to 12.20, 10.33, 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 three hydrogen molecules per metal atom at 300 K and pressure in the range of 5-250 atm.
UR - https://www.scopus.com/pages/publications/84865635875
U2 - 10.1103/PhysRevB.86.085435
DO - 10.1103/PhysRevB.86.085435
M3 - Article
AN - SCOPUS:84865635875
SN - 1098-0121
VL - 86
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 8
M1 - 085435
ER -