Speaker
Mr
Suphagrid Wongprakarn
(Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen, THAILAND 40002)
Description
Metal binding energies of various metals such as Li, Be, B, Na, Al, Mg and Ca trapped on graphene and hydrogen adsorption energies corresponding to these metals are calculated by using the density functional theory. Our results reveal that Li, Be, Na, Al and Ca are trapped on the graphene with metal binding energies of about 3.49–3.87 eV. These binding energies are high enough to hold these metals on graphene at room temperature.
Moreover, we also calculated the hydrogen adsorption energy when a hydrogen molecule is adsorbed on these considered metals and found that Li gives the highest hydrogen physisorption energy compared to all considered metals, namely about 0.136 eV. Consequently, Li is regarded as the best choice for adsorbing hydrogen molecule.
Author
Mr
Suphagrid Wongprakarn
(Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen, THAILAND 40002)
