Abstract
The adsorption of hydrogen onto the (110) surface of the ordered alloy NiAl is being investigated experimentally and theoretically. At this stage, the experimental and theoretical results are complementary. Experiment reveals that the dissociative adsorption of atomic hydrogen is activated and indicates that the presence of H on the surface causes dramatic changes in the atomic positions of the Ni and Al atoms. Density functional theory for a (1 × 1) H overlayer identifies the H bonding site as the NiNi bridge and predicts the surface rippling on clean NiAl(110) is removed by hydrogen.
| Original language | English |
|---|---|
| Pages (from-to) | 811-817 |
| Number of pages | 7 |
| Journal | Surface Science |
| Volume | 331-333 |
| Issue number | PART A |
| DOIs | |
| State | Published - Jul 1 1995 |
Funding
A.H., A.B., and W.P. would like to thank David Zehner for his support and advice. A.H. was supported by the Japanese Government through the NEDO International Joint Research Grant program. B.H. gratefully acknowledges the fellowship from the Alexander von Humboldt Foundation and the support from the Danish Research Councils through grant No. 16-5307 and The Center for Surface Reactivity. Center for Atomic-Scale Materials Physics (CAMP) is sponsored by The Danish National Research Foundation. The work at ORNL was supported by Division of Materials Sciences, US DOE under contract DE-AC05-84-OR21400 with Martin Marietta Energy Systems, Inc.
| Funders | Funder number |
|---|---|
| U.S. Department of Energy | DE-AC05-84-OR21400 |
| Division of Materials Sciences | |
| New Energy and Industrial Technology Development Organization | |
| Danish Research Councils | 16-5307 |
| Alexander von Humboldt-Stiftung | |
| Danmarks Grundforskningsfond |
Keywords
- Alloys
- Atom-solid interactions, scattering, diffraction
- Atom-solid reactions
- Hydrogen
- NiAl
- Surface relaxation and reconstruction