The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS and DFT calculations

Piccolo, L.; Loffreda, David; Aires, F.J. Cadete Santos; Deranlot, C.; Jugnet, Y.; Sautet, Philippe; Bertolini, J.C.

doi:10.1016/j.susc.2004.06.042

Cited by 106 publications

(126 citation statements)

References 34 publications

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“…This pressure-dependent surface modification must increase the number of active sites and/or give rise to sites of increased activity (low-coordinated sites), as has been previously observed on Au(111) under elevated CO pressures [32].…”

Section: Discussionmentioning

confidence: 61%

Pd(111) versus Pd–Au(111) in carbon monoxide oxidation under elevated pressures

et al. 2007

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The oxidation of CO on Pd(111) and Pd 70 Au 30 (111) has been studied under pressures upto 100 Torr. Gold is found to decrease the surface activity by inhibiting oxygen dissociation. For a sufficient conversion time depending on the CO coverage and the surface identity, a dramatic boost of activity occurs. This is ascribed to a switch from CO-induced inhibition of O 2 adsorption to a regime determined by CO adsorption. The other kinetic features are explained by oxidation of palladium and adsorption-induced restructuring of the surfaces.

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Section: Discussionmentioning

confidence: 61%

Pd(111) versus Pd–Au(111) in carbon monoxide oxidation under elevated pressures

et al. 2007

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“…Reflection absorption infrared spectroscopy experiments suggest that CO molecules are linearly chemisorbed on top of gold atoms and that adsorption occurs only above ~1 Torr CO pressure at room temperature. The large effect of the surface structure on the CO heat of adsorption is nicely illustrated by the fact that at room temperature a CO pressure of 1 or 2 orders of magnitude higher is needed for CO adsorption on Au(111) than on Au(110), with CO stretching frequencies at, respectively, 2110 and 2060 cm -1 [40]. DFT calculations, through consideration of perfect, stepped (221 and 311) or kinked (874) surfaces support these results and give additional evidence of strong structure sensitivity for CO adsorption on gold.…”

Section: Carbon Monoxide Adsorption On Clean and O Precovered Surfacesmentioning

confidence: 99%

Adsorption of small molecules on gold single crystal surfaces

Carabineiro

Nieuwenhuys

2009

Gold Bull

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Much more work has been carried out on supported gold catalysts (also called "real" catalysts) than on gold single crystal surfaces. However, for fundamental understanding of catalysis by gold, well-defined gold surfaces and controlled conditions using the surface science approach may provide useful information concerning reaction mechanisms and the nature of active centers. This paper presents a brief overview on the work carried out regarding adsorption of several small molecules on

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“…More recently TPD experiments of CO adsorption on low-coordinated sites on Au(211) and Au(332) [14,15] provide insight on the role of step and kink sites showing increased binding energies. Earlier calculations show that CO binding energy increases on Au(211) compared to Au(111) [16,17]. Yim et al also show an increase in CO binding energy on Au(332) with local coordination by artificially introducing defects on Au(332) [15].…”

Section: Introductionmentioning

confidence: 98%

Comparative study of CO adsorption on flat, stepped, and kinked Au surfaces using density functional theory

et al. 2009

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Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination with a reduction in Au atom coordination leading to higher binding energies. We find trends in adsorption energies to be similar to those reported in experiments and calculations for other metal surfaces. The (532) surface provides insights into these trends because of the availability of a large number of kink sites which naturally have the lowest coordination (6). We also find that, for all surfaces, an increase in CO coverage triggers a decrease in the adsorption energy. Changes in the workfunction upon CO adsorption, as well as the frequencies of the CO vibrational modes are calculated, and their coverage dependence is reported.

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The adsorption of CO on Au(111) at elevated pressures studied by STM, RAIRS and DFT calculations

Cited by 106 publications

References 34 publications

Pd(111) versus Pd–Au(111) in carbon monoxide oxidation under elevated pressures

Pd(111) versus Pd–Au(111) in carbon monoxide oxidation under elevated pressures

Adsorption of small molecules on gold single crystal surfaces

Comparative study of CO adsorption on flat, stepped, and kinked Au surfaces using density functional theory

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