Coverage-dependent adsorption sites in the K/Ru(0001) system: a low-energy electron-diffraction analysis

Gierer, M.; Bludau, H.; Hertel, Tobias; Over, Herbert; Moritz, Wolfgang; Ertl, G.

doi:10.1016/0039-6028(92)90731-k

Cited by 40 publications

(6 citation statements)

References 21 publications

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“…Thus, the energy splitting is smaller for K/Cu(111) compared to K/Ag(111), and substrate rumpling can change it in favor of the top site for K/Cu(111). This argument would also hold for the system K/Ru(0001) 26 which behaves similar to K/Ag(111). The calculations thus support the argument given, for example, in reference 2 and which was based on a large set of experimental data (when varying the adsorbate, the ratio of the radius of the adsorbate to the nearest neighbor spacing of the substrate was recommended as a parameter to predict the adsorption site).…”

Section: Comparison Of the Results For The Two Coveragesmentioning

confidence: 76%

Density-functional study of the adsorption of K on the Ag(111) surface

Doll

2002

Phys. Rev. B

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Full-potential gradient corrected density functional calculations of the adsorption of potassium on the Ag(111) surface have been performed. The considered structures are Ag(111)( √ 3× √ 3)R30 • -K and Ag(111)(2×2)-K. For the lower coverage, fcc, hcp and bridge site; and for the higher coverage all considered sites are practically degenerate. Substrate rumpling is most important for the top adsorption site. The bond length is found to be nearly identical for the two coverages, in agreement with recent experiments. Results from Mulliken populations, bond lengths, core level shifts and work functions consistently indicate a small charge transfer from the potassium atom to the substrate, which is slightly larger for the lower coverage.

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Section: Comparison Of the Results For The Two Coveragesmentioning

confidence: 76%

Density-functional study of the adsorption of K on the Ag(111) surface

Doll

2002

Phys. Rev. B

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“…A SEXAFS 0.15-0.30 0.5-1.00 0.30 ± 0.03 [34,35] diffuse LEED study of K/Ni(100) also determined that both the adsorption site and the K-Ni bondlength remained essentially constant in the coverage range from 0.08 to 0.50 [40]. No significant change in bondlength was observed for Na [41] , K [42] or Rb [43] on Ru(0001) between the p(2 × 2) and (…”

Section: Chemisorption Bondlengthmentioning

confidence: 96%

Current progress in understanding alkali metal adsorption on metal surfaces

Diehl

McGrath

1997

J. Phys.: Condens. Matter

100

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This paper reviews the current situation in the understanding of alkali adsorption on metal surfaces, with particular emphasis on recent structural discoveries. We start by describing the classical `Langmuir - Gurney' model for alkali adsorption and the challenges to it which arose in the mid 1980s. We then describe the results of structural studies from the early 1990s which provide a whole new set of phenomena to be explicable within the framework of a new paradigm, and discuss whether calculations based on density-functional theory constitute such a paradigm.

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“…Substitutional adsorption has been shown in three cases to occur as the result of an irreversible phase transition from an "on-surface" site by warming to room temperature, without change in the periodicity of the surface unit cell or of the coverage [32][33][34][35][36][37][38]. 3) The alkali metal atom may switch site on variation of coverage [29,31,[40][41][42][43], and 4) island formation may occur [13,31,[44][45][46][47][48]. 5) There may be a strong intermixing of the alkali metal atom with the substrate surface [49][50][51][52], as for example the formation of a four layer ordered surface alloy which had been identified for Na on Al (111) at a coverage Θ Na = 0.5 [51,52].…”

Section: Introductionmentioning

confidence: 99%

Theory of Alkali-Metal Adsorption on Close-Packed Metal Surfaces

Stampfl

Scheffler

1995

Surf. Rev. Lett.

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Results of recent density functional theory calculations for alkali metal adsorbates on close-packed metal surfaces are discussed. Single adatoms on the (111) surface of Al and Cu are studied with the self-consistent surface Greenfunction method by which the pure adsorbate-substrate interaction may be analyzed. Higher coverage ordered adlayers of K on Al (111), Na on Al (111), and Na on Al (001) are treated using the ab-initio pseudopotential plane wave method which affords the prediction of coverage dependent stable and metastable adsorbate geometries and phase transitions of the adsorbate layers. Together, these studies give insight and understanding into current key issues in alkali metal adsorption, namely, the nature of the adsorbate-substrate bond at low coverage and the occurrence of hitherto unanticipated adsorbate geometries, and the associated electronic properties.

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Coverage-dependent adsorption sites in the K/Ru(0001) system: a low-energy electron-diffraction analysis

Cited by 40 publications

References 21 publications

Density-functional study of the adsorption of K on the Ag(111) surface

Density-functional study of the adsorption of K on the Ag(111) surface

Current progress in understanding alkali metal adsorption on metal surfaces

Theory of Alkali-Metal Adsorption on Close-Packed Metal Surfaces

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