Abstract:Adsorbed layers of nitrogen and oxygen in the c(2 X 2) structure and sulfur in the (2 X 2) structure on copper (100) have been studied. Ultraviolet photoemission spectroscopy (UPS) shows that each of these layers induces a resonance above the "d band" of copper at about 1.3-eV binding energy with respect to the Fermi level and below the "1 band" at about 6-eV binding energy. X-ray photoemission spectroscopy has been used to determine that the 1s electronic binding energies of adsorbed atoms of c(2 X 2) nitroge… Show more
“…yields the N Auger peak indicated. Analysis of the fine structure of the adsorbate peaks showed good agreement with those obtained by Tibbetts et al (5). Assuming the peak-peak heights are proportional to elemental concentration, taking into account the linear energy dependence of the sensitivity of the CMA and the Auger yields of the elements (8), it is found that the elemental concentrations for 0, N and S are in the ratio 1:.73:.77.…”
“…yields the N Auger peak indicated. Analysis of the fine structure of the adsorbate peaks showed good agreement with those obtained by Tibbetts et al (5). Assuming the peak-peak heights are proportional to elemental concentration, taking into account the linear energy dependence of the sensitivity of the CMA and the Auger yields of the elements (8), it is found that the elemental concentrations for 0, N and S are in the ratio 1:.73:.77.…”
“…The surface energies, work functions and interlayer relaxations for slabs of 3, 5, 7, and 9 layers of copper are compared in Table II 27 . A further requirement of the thickness of the slab is that the interaction of the Co layers on both sides of the slab trough the substrate is negligible for the questions of concern.…”
We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1 × 1)-structures of Co on Cu(001) for coverages up to two monolayers. In particular we discuss the tendency towards phase separation in Co islands and the possibility of segregation of Cu on top of the Co-film. A sandwich structure consisting of a bilayer Co-film covered by 1ML of Cu is found to be the lowest-energy configuration. We also discuss a bilayer c(2 × 2)-alloy which may form due to kinetic reasons, or be stabilized at strained surface regions. Furthermore, we study the influence of magnetism on the various structures and, e.g., find that Co adlayers induce a weak spin-density wave in the copper substrate. 71.20.Be
“…Concerning the specific interaction of H 2 S with Ag͑111͒, almost all previous studies have focused on using H 2 S as a source of adsorbed S. In those studies, dissociative adsorption was achieved using high pressure and/or elevated surface temperature when H 2 S was in the gas phase, [1][2][3][4][5][6][7] or using electrochemical methods when H 2 S was in liquid solution. 7,8 In contrast, the present paper deals with the state of the molecule that is obtained by adsorption at low pressure and at temperatures ͑T͒ of 5-30 K.…”
H 2 S forms a rich variety of structures on Ag(111) at low temperature and submonolayer coverage. The molecules decorate step edges, exist as isolated entities on terraces, and aggregate into clusters and islands, under various conditions. One type of island exhibits a (×)R25.3° unit cell. Typically, molecules in the clusters and islands are separated by about 0.4 nm, the same as the S-S separation in crystalline H 2 S. Density functional theory indicates that hydrogen-bonded clusters contain two types of molecules. One is very similar to an isolated adsorbed H 2 S molecule, with both S-H bonds nearly parallel to the surface. The other has a S-H bond pointed toward the surface. The potential energy surface for adsorption and diffusion is very smooth.
KeywordsAmes Laboratory, adsorption, density functional theory, diffusion, hydrogen bonds, intermolecular forces, island structure, molecular clusters, potential energy surfaces, silver, sulphur compounds H 2 S forms a rich variety of structures on Ag͑111͒ at low temperature and submonolayer coverage. The molecules decorate step edges, exist as isolated entities on terraces, and aggregate into clusters and islands, under various conditions. One type of island exhibits a ͑ ͱ 37ϫ ͱ 37͒R25.3°unit cell.Typically, molecules in the clusters and islands are separated by about 0.4 nm, the same as the S-S separation in crystalline H 2 S. Density functional theory indicates that hydrogen-bonded clusters contain two types of molecules. One is very similar to an isolated adsorbed H 2 S molecule, with both S-H bonds nearly parallel to the surface. The other has a S-H bond pointed toward the surface. The potential energy surface for adsorption and diffusion is very smooth.
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