Au(111) surface structures induced by adsorption: LEED I(E) analysis of (1 × 1) and (5 × 5) Au(111)–S phases

McGuirk, G. M.; Shin, Heekeun; Caragiu, Mellita; Ash, S. G.; Bandyopadhyay, Pradip K.; Prince, R. H.; Diehl, Renee D.

doi:10.1016/j.susc.2013.01.004

Cited by 19 publications

(26 citation statements)

References 22 publications

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“…First, the models consider only configurations where the chalcogens are adsorbed on three-fold hollow fcc sites. For S, population of fcc sites at ≲ 0.28 is wellestablished from experiment, 5,6,10 and is supported by DFT calculations (cf. Table S5 of SM).…”

Section: Lattice Gas (Lg) Model Development Including Machine Learninsupporting

confidence: 53%

“…At low coverage (less than 0.1 ML), the hulls for all systems are formed by configurations including √3 rows. Furthermore, the (55) rosette structure, which played a crucial role in interpreting the LEED experiments, 5,6,27 is present for both S/Au(111) and Te/Au(111), and is labeled (b) for both systems. In fact, the rosette is also quite stable for Se/Au(111), since it lies only 0.005 eV above the hull, i.e., it is effectively on the hull given the numerical precision noted above.…”

Section: (Ig)mentioning

confidence: 99%

“…Although the focus of this paper is on comparison with low temperature STM, it is also worthwhile to apply the LG model to interpret LEED experiments, where the (55) pattern has been observed for S at temperatures of 83 K and 160 K; 5,6 its sharpness deteriorates (reversibly) at 300 K. 5 The (55) is so robust that it can be recovered after heating to 670 K. 5 As discussed in Sec. 1, the (55) LEED pattern consists of fifth-order This is the author's peer reviewed, accepted manuscript.…”

Section: Structure Of S Corresponding To the (55) Leed Patternmentioning

confidence: 99%

“…). In addition, a (√3√3)R30 o structure with ideal S coverage of 0.33 ML has also been observed with LEED at 300 K. 6,7 In fact, neither the (55) nor the (√3√3)R30 o structure has been observed with STM after sulfur adsorption in ultrahigh vacuum, perhaps because imaging has been attempted only at room temperature, where S adatom mobility is assumed to be high on Au(111). [8][9][10] The (55) was described as consisting of rosette motifs, where each rosette was a centered hexagon of S atoms occupying (√3√3)R30 o lattice sites.…”

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confidence: 99%

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Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Liu

Evans

Spurgeon

et al. 2020

The Journal of Chemical Physics

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Ordering of different chalcogens, S, Se, and Te, on Au(111) exhibit broad similarities but also some distinct features, which must reflect subtle differences in relative values of the long-range pair and manybody lateral interactions between adatoms. We develop lattice-gas (LG) models within a cluster expansion framework, which includes about 50 interaction parameters. These LG models are developed based on density functional theory (DFT) analysis of the energetics of key adlayer configurations in combination with the Monte Carlo (MC) simulation of the LG models to identify statistically relevant adlayer motifs, i.e., model development is based entirely on theoretical considerations. The MC simulation guides additional DFT analysis and iterative model refinement. Given their complexity, development of optimal models is also aided by strategies from supervised machine learning. The model for S successfully captures ordering motifs over a broader range of coverage than achieved by previous models, and models for Se and Te capture the features of ordering, which are distinct from those for S. More specifically, the modeling for all three chalcogens successfully explains the linear adatom rows (also subtle differences between them) observed at low coverages of ∼0.1 monolayer. The model for S also leads to a new possible explanation for the experimentally observed phase with a (5 × 5)-type low energy electron diffraction (LEED) pattern at 0.28 ML and to predictions for LEED patterns that would be observed with Se and Te at this coverage. Disciplines Disciplines Biological and Chemical Physics | Materials Chemistry Comments Comments This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.

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Section: Lattice Gas (Lg) Model Development Including Machine Learninsupporting

confidence: 53%

Section: (Ig)mentioning

confidence: 99%

Section: Structure Of S Corresponding To the (55) Leed Patternmentioning

confidence: 99%

mentioning

confidence: 99%

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Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Liu

Evans

Spurgeon

et al. 2020

The Journal of Chemical Physics

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“…In this case the base alloy contains an amount of Ag of 5 wt.% and an amount of Cu below 0.3 wt.%. The corrosion layer presents an accentuated variation of S, which can be justified by the low Ag content of the base-alloy and by the strong adsorption of S on the Au alloy surface [37]. The corroded surface morphology is distinct from the one of corrosion Type 1, the nanoporous layer is composed of aggregates of small round particles (Fig.…”

Section: Gold Foil Corrosionmentioning

confidence: 99%

A multi-analytical approach to gold in Ancient Egypt: Studies on provenance and corrosion

Tissot

Troalen

Manso

et al. 2015

Spectrochimica Acta Part B: Atomic Spectroscopy

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Recent results from a three-year multi-disciplinary project on Ancient Egyptian gold jewellery revealed that items of jewellery from the Middle Kingdom to the New Kingdom were manufactured using a variety of alluvial gold alloys. These alloys cover a wide range of colours and the majority contain Platinum Group Elements inclusions. However, in all the gold foils analysed, these inclusions were found to be absent. In this work a selection of gilded wood and leather items and gold foil fragments, all from the excavations by John Garstang at Abydos (primarily from Middle Kingdom graves), were examined using Scanning Electron Microscopy-Energy Disperse Spectroscopy (SEM-EDS), X-Ray Fluorescence (μXRF), Particle Induced X-Ray Emission (µPIXE) and Double Dispersive X-Ray Fluorescence (D 2 XRF). The work allowed us to characterise the composition of the base-alloys and also to reveal the presence of Pt at trace levels, confirming the use of alluvial gold deposits. Corrosion products were also investigated in the foils where surface tarnish was visually observed. Results showed that the differences in the colour of corrosion observed for the foils are related not only to the thickness of the corrosion layer but also to a multi-layer structure containing the various corrosion products.

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Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

et al. 2021

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Chemisorbed species can enhance the fluxional dynamics of nanostructured metal surfaces which has implications for applications such as catalysis. Scanning tunneling microscopy studies at room temperature reveal that the presence of adsorbed sulfur (S) greatly enhances the decay rate of 2D Au islands in the vicinity of extended step edges on Au(111). This enhancement is already significant at S coverages, θS, of a few hundredths of a monolayer (ML), and is most pronounced for 0.1–0.3 ML where the decay rate is increased by a factor of around 30. For θS close to saturation at about 0.6 ML, sulfur induces pitting and reconstruction of the entire surface, and Au islands are stabilized. Enhanced coarsening at lower θS is attributed to the formation and diffusion across terraces of Au−S complexes, particularly AuS2 and Au4S4, with some lesser contribution from Au3S4. This picture is supported by density functional theory analysis of complex formation energies and diffusion barriers.

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Au(111) surface structures induced by adsorption: LEED I(E) analysis of (1 × 1) and (5 × 5) Au(111)–S phases

Cited by 19 publications

References 22 publications

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

Structure of chalcogen overlayers on Au(111): Density functional theory and lattice-gas modeling

A multi-analytical approach to gold in Ancient Egypt: Studies on provenance and corrosion

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

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