• Chemistry
  • Published 2017

Metal decorations on graphene as a hydrogen storage material

  title={Metal decorations on graphene as a hydrogen storage material},
  author={Suphagrid Wongprakarn},
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. This binding energy is high enough to hold these metals on graphene at room temperature. Moreover, we also calculated the hydrogen adsorption energy when a… CONTINUE READING