High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111)

Details High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111) High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111)

1994-11-22

arxiv.org/abs/mtrl-th/9411008v1

Physics

Condensed Matter

Materials Science

4 two column pages, revtex, 4 figures, to appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.73.3121

We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is obtained from density functional theory calculations. Two regimes of dynamics are found, at low energies sticking is determined by the minimum energy barrier, at high energies by the distribution of barrier heights. Experimental results are well-reproduced qualitatively, but some quantitative discrepancies are identified as well.

Affiliated with

Also associated with

No associations

Rating

High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111) 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 High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111), we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and High-dimensional quantum dynamics of adsorption and desorption of H$_2$ at Cu(111) will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-447554