Density Functional Study of adsorption of molecular hydrogen on graphene layers

Details Density Functional Study of adsorption of molecular hydrogen on graphene layers Density Functional Study of adsorption of molecular hydrogen on graphene layers

2000-02-07

arxiv.org/abs/physics/0002015v2

Physics

Chemical Physics

11 pages, 6 figures, several errata corrected, submitted to the Journal of Chemical Physics

Scientific paper

10.1063/1.481411

Density functional theory has been used to study the adsorption of molecular
H2 on a graphene layer. Different adsorption sites on top of atoms, bonds and
the center of carbon hexagons have been considered and compared. We conclude
that the most stable configuration of H2 is physisorbed above the center of an
hexagon. Barriers for classical diffusion are, however, very small.

Affiliated with

Also associated with

No associations

Rating

Density Functional Study of adsorption of molecular hydrogen on graphene layers does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Density Functional Study of adsorption of molecular hydrogen on graphene layers, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Density Functional Study of adsorption of molecular hydrogen on graphene layers will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-558553