CO/NO adsorption on a quasi one-dimensional Br/Pt(110) surface
Abstract
There are quite a few reasons that make halogen adsorption on anisotropic transition-metal surfaces an interesting field to study low-dimensional phenomena. Starting from a quasi one-dimensional c(2×2)-Br/Pt(110) surface at 1/2 ML Br coverage, further adsorption of Br causes the surface system to go through a succession of complex phases, studied in detail by various experimental techniques like STM, LEED and ARUPS. Recent DFT calculations together with quantitative LEED solved the the structure of the commensurate phases c(2×2) at 1/2ML Br, p(3×1) at 2/3 ML Br and p(4×1) at 3/4 ML Br coverage. While for c(2×2) only short-bridge sites are occupied long-bridge sites are also populated for the other two. Surprisingly, this succession of complex phases is also triggered by adsorption of CO and NO. In the present contribution we aim at the stability of various mixed Br/CO/NO phases on Pt(110) with a p(4×n) periodicity using the VASP DFT code. We are able to show that although excess CO/NO behaves quite similar to Br, there are differences which shed new light on the experimental evidence.
- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- March 2004
- Bibcode:
- 2004APS..MARH35011Z