Showing papers by "J. Redinger published in 2004"
TL;DR: In this article, a strong coupling of the hydrogen atom positions to lattice relaxations on the missing row surface was found, and the short-bridge site on the outermost row was identified as the preferred chemisorption site.
Abstract: The use of hydrogen-modified $\mathrm{Pt}(110)$ as a template for the growth of one-dimensional adsorbate structures motivated our investigation of this surface with quantitative low-energy electron diffraction (LEED) and density functional theory (DFT) calculations. The analysis reveals a strong coupling of the $\mathrm{H}$ atom positions to $\mathrm{Pt}$ lattice relaxations on the $(1\ifmmode\times\else\texttimes\fi{}2)$ missing row surface. Contrary to all former assignments, we conclude from the experiment that at low coverages (${\ensuremath{\beta}}_{2}$ state) $\mathrm{H}$ occupies adsorption sites above the outermost close-packed rows. This is supported by DFT calculations, which identify the short-bridge site on the outermost row as the preferred chemisorption site.
23 citations
22 citations
TL;DR: In this article, the atomic structure of 0.5 monolayer (ML) Co deposited on Pt(110) was investigated by quantitative low-energy electron diffraction and ab initio density functional theory calculations, showing a pronounced inward relaxation and a filling of the missing-row sites by Co atoms.
Abstract: The atomic structure of 0.5 monolayer (ML) Co deposited on Pt(110) was investigated by quantitative low-energy electron diffraction and ab initio density functional theory calculations, showing a pronounced inward relaxation and a filling of the missing-row sites of the Pt(110) substrate by Co atoms. Up to this Co coverage no significant intermixing of Pt atoms with Co atoms was observed by scanning tunneling microscopy, resulting in an alternating arrangement of pure Co and Pt rows.
2 citations