Hostname: page-component-586b7cd67f-gb8f7 Total loading time: 0 Render date: 2024-11-26T21:20:34.838Z Has data issue: false hasContentIssue false
  • English
  • Français

H Adsorption On Rh (110) Surface

Published online by Cambridge University Press:  01 February 2011

Shao-Ping Chen
Shao-Ping Chen*
Affiliation:
[email protected], Los Alamos National Laboratory, Theoretical Division, T-1, MS-B221, LANL, Los Alamos, New Mexico, 87545, United States, 505-667-7346, 505-606-0917
Get access

Abstract

We have used the density functional theory to study the H adsorption phenomena on Rh (110) surface with H coverage from 0.33 to 2.00 mono-layers. We found H atom favors the three-fold coordinated site as observed experimentally. We confirmed the existence of 1x3-H (0.33 H coverage), 1x2-H (0.5 H coverage), 1x3-2H (0.66 H coverage), 1x1-2H (2.0 H coverage) ordered structures. We also found that the proposed 1x3-2H structure for H coverage of 0.66 is not the lowest energy configuration. We have proposed a new 1x3-2H structure which needs to be tested by future experiments. This is a preliminary report and a more detailed description of the work will be published later.

Keywords

HadsorptionRh
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 927: Symposium EE – Hydrogen Storage Materials , 2006 , 0927-EE03-20
Copyright
Copyright © Materials Research Society 2006

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Christmann, K., Prog. Surf. Sci. 48, 15 (1995).Google Scholar
2. Mussig, H. J. et al., Surf. Sci. 311, 295 (1994).Google Scholar
3. Mueller, K., Prog. Surf. Sci. 42, 245 (1993).Google Scholar
4. Baraldi, A. et al., Surf. Sci. 293, 246 (1993).Google Scholar
5. Christmann, K. et al., Chem. Phys. Lett., 131, 192 (1986).Google Scholar
6. Xie, J. J. and Scheffler, M., Phys. Rev. B, 57, 4768 (1998).Google Scholar
7. Kresse, G. and Furthmüller, J., Phys. Rev. B 54, 11169 (1996).Google Scholar
8. Blöchl, P.E., Phys. Rev. B 50, 17953 (1994).Google Scholar
9. Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R. and Fiolhais, C., Phys. Rev. B 46, 6671 (1992)Google Scholar
10. Oed, W. et al., J. Phys. C, 21, 237 (1988).Google Scholar
11. Kristen, E. et al., Chem. Phys. Lett. 181, 544 (1991).Google Scholar
12. Ehsasi, M and Christmann, , Surf. Sci. 194, 172 (1988).Google Scholar
13. Nichtl-Penchner, W. et al., Surf. Sci. 249, 61 (1991).Google Scholar
14. Nichtl-Penchner, W. et al., Vacuum, 41 297 (1990).Google Scholar
15. Puchta, W. et al., Phys. Rev. B, 39, 1020 (1989).Google Scholar