Back to Search
Start Over
Ultrathin Alumina Films on Metallic Substrates: Structure and Metal Adsorption
- Source :
- MRS Proceedings. 586
- Publication Year :
- 1999
- Publisher :
- Springer Science and Business Media LLC, 1999.
-
Abstract
- First principles density functional calculations are used to study the structure and properties of ultrathin films of alumina on Al(111) and Ru(0001) substrates. We focus on ∼5 Å two O-layer films, naturally produced by oxidizing NiAl, Ni3Al, and Al deposited on Ru(0001). The interface consists of chemisorbed l×1 oxygen on the underlying metal [1], with a nearly coplanar layer of Al2O3 above. The lowest energy structure of the Al-sublattice is found to consist of zig-zag rows of octahedral and tetrahedral Al ions, resembling the bulk κ-phase. Eleven different adsorbed metals, spanning the periodic table, have been studied [2]. At low coverage the bond is purely ionic; at high coverage most metals bind principally by polarization. Contrary to speculations, isolated vacancies are found on MgO(100) not to directly promote metal nucleation [3], and we suggest this behavior is general. However, ad-OH is found not only to promote island nucleation, but can also, in high concentrations, produce wetting of alumina by Cu [4].
Details
- ISSN :
- 19464274 and 02729172
- Volume :
- 586
- Database :
- OpenAIRE
- Journal :
- MRS Proceedings
- Accession number :
- edsair.doi...........3aa0c7f8a16cbc2bcc38fd8a6a1c5c17