Random Occupation of Adsorption Sites in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>c</mml:mi><mml:mi /><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>2</mml:mn><mml:mo>)</mml:mo></mml:math>Structure of CO on Fe{001}

Jona, F.; Legg, Keith; Shih, H. D.; Jepsen, D. W.; Marcus, P. M.

doi:10.1103/physrevlett.40.1466

Cited by 70 publications

(14 citation statements)

References 9 publications

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“…In our calculations, the alloy composition in the three outermost layers is optimized using the average t-matrix approximation method [6]. We find the best agreement between the measured and computed IV curves when the Pd in each layer is located primarily in one 2 2 sublattice, in agreement with previous LEED analysis [7].…”

supporting

confidence: 61%

Origins of Nanoscale Heterogeneity in Ultrathin Films

et al. 2006

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A key challenge in thin-film growth is controlling structure and composition at the atomic scale. We have used spatially resolved electron scattering to measure how the three-dimensional composition profile of an alloy film evolves with time at the nanometer length scale. We show that heterogeneity during the growth of Pd on Cu(001) arises naturally from a generic step-overgrowth mechanism relevant in many growth systems.

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confidence: 61%

Origins of Nanoscale Heterogeneity in Ultrathin Films

et al. 2006

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“…It is interesting to note that the adsorption of sulfur atoms on Fe(100) surfaces has also been experimentally detected to prevent the dissociative adsorption of CO [29]. This is because those adsorption sites of CO [30], C, O [31], and S [32] on Fe(100) surfaces are identical with the four-fold hollow sites, and CO molecules lose their dissociative reaction fields with a sulfur monolayer. These experimental results suggest that an understanding of atomistic properties of CO adsorption on transition-metal surfaces is the key ingredient for metal dusting suppression technologies.…”

Section: Initial Stage Of Metal Dustingmentioning

confidence: 93%

Improving metal dusting resistance of. transition‐metals and Ni‐Cu alloys

Nishiyama¹,

Moriguchi²,

Ōtsuka³

et al. 2005

Materials & Corrosion

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The present study focuses on a new technique for the prevention of metal dusting in carbonaceous gas environments at intermediate temperature. Preliminary laboratory metal dusting test was conducted for transition-metals and Ni-x%Cu binary alloys in a simulated 60%CO-26%H 2 -11.5%CO 2 -2.5%H 2 O (in vol.%) gas mixture at 650 8C for 100 h. The metal dusting caused no coke deposition on transition-metals of Cu, Ag, and Pt, while those of Fe, Co, and Ni have a large amount of coke and lost mass. Whether or not coking behavior of Ni-Cu binary alloys formed any oxide scales in the simulated gas environment depended on the Cu content. Specimens containing low Cu were entirely covered with coke and showed rough metal surfaces due to the degradation of metal. Alloys of 20% and more Cu, on the contrary, had no coke deposition and smooth metal surfaces, suggesting alloys with an adequate Cu do not react with CO in the gas mixture without an oxide scale barrier. Based on these results, we conclude that Cu does not protect by formation of the oxide scale but has a "Surfactant-Mediated Suppression" against metal dusting. This effect can be explained in terms of atomistic interaction of CO with transition-metal surfaces by electronic structure analyses. The concept can be also useful for the practical material design of Ni-Cr base alloy with excellent metal dusting resistance.

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“…In addition to these standard configurations, we tested a (1×1) structure placing O in both the fcc and hcp position with variable concentrations. The mixing of adsorption sites with variable concentrations was simulated within the framework of the averaged-t-matrix approximation [19]. The multiple scattering between neighboring O-atoms in fcc and hcp-sites could alternatively be switched off.…”

Section: Hgmentioning

confidence: 99%

Structure and Stability of a High-Coverage(1×1)Oxygen Phase on Ru(0001)

et al. 1996

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The formation of chemisorbed O-phases on Ru (0001) by exposure to O2 at low pressures is apparently limited to coverages Θ ≤ 0.5. Using low-energy electron diffraction and density functional theory we show that this restriction is caused by kinetic hindering and that a dense O overlayer (Θ = 1) can be formed with a (1×1) periodicity. The structural and energetic properties of this new adsorbate phase are analyzed and discussed in view of attempts to bridge the so-called "pressure gap" in heterogeneous catalysis. It is argued that the identified system actuates the unusually high rate of oxidizing reactions at Ru surfaces under high oxygen pressure conditions.

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Random Occupation of Adsorption Sites in thec(2×2)Structure of CO on Fe{001}

Cited by 70 publications

References 9 publications

Origins of Nanoscale Heterogeneity in Ultrathin Films

Origins of Nanoscale Heterogeneity in Ultrathin Films

Improving metal dusting resistance of. transition‐metals and Ni‐Cu alloys

Structure and Stability of a High-Coverage(1×1)Oxygen Phase on Ru(0001)

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