The Behavior of Water on Metal Surfaces

Heras, J. M.; Viscido, L.

doi:10.1080/01614948808078621

Cited by 50 publications

(23 citation statements)

References 213 publications

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“…Similar XPS and UPS results were reported for H 2 O(a) on other metal surfaces. 17,18 Careful comparisons between the desorption trace following the 0.01 L H 2 O exposure and those following larger H 2 O exposures (Figure 1A) show the presence of a high-temperature shoulder in the H 2 O desorption trace following 0.01 L H 2 O exposure. This could be taken as an indication for H 2 O(a) at seven-coordinated Au atoms of the (111) steps on Au(997) that is slightly more stable than those at nine-coordinated Au atoms of the (111) terraces.…”

Section: Resultsmentioning

confidence: 99%

Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction

Jiang

Jin

et al. 2014

J. Phys. Chem. C

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Water adsorption and reaction on an O(a)-covered Au(997) surface were comprehensively investigated by means of thermal desorption spectroscopy, X-ray photoelectron spectroscopy, and ultraviolet photoelectron spectroscopy. Adsorbed water is stabilized by O(a) adatoms on Au(997), and the surface reaction between H2O(a) and O(a) occurs at 105 K to form surface hydroxyl groups that were unambiguously identified by their feature at 10.9 eV below the Fermi level in the UPS spectra. Upon heating, surface hydroxyl groups react to produce H2O and O(a). These results elucidate the elementary surface reactions between water and oxygen adatoms on Au surfaces at the molecular level and greatly deepen the fundamental understanding of the unique role of water in Au-catalyzed oxidation reactions.

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Section: Resultsmentioning

confidence: 99%

Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction

Jiang

Jin

et al. 2014

J. Phys. Chem. C

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“…Furthermore, it is known that H 2 O does not adsorb onto noble metal surfaces [23,24] but can adsorb on ceria [25] and alumina [26,27].…”

Section: Introductionmentioning

confidence: 99%

Transient kinetics of carbon monoxide oxidation by oxygen over supported palladium/ceria/zirconia three-way catalysts in the absence and presence of water and carbon dioxide

Rajasree

Hoebink

Schouten

2004

Journal of Catalysis

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“…The WF was measured by means of immersed electrode setups, [20][21][22] UHV studies, 36,37 or, similarly, through measurements of the potential difference across the Hg|air|H + |Pt,H 2 cell in the absence of any specific adsorption or charge transfer (so-called streaming Hg jet method). 17,18 There is a large scatter in reported values obtained using these techniques (4.44 to 4.85 V).…”

Section: Experimental Estimates Of the Ashepmentioning

confidence: 99%

Standard hydrogen electrode and potential of zero charge in density functional calculations

et al. 2011

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Methods to explicitly account for half-cell electrode potentials have recently appeared within the framework of density functional theory. The potential of the electrode relative to the standard hydrogen electrode is typically determined by subtracting the experimental value of the absolute standard hydrogen electrode potential (ASHEP) from the calculated work function. Although conceptually correct, this procedure introduces two sources of errors: (i) the experimental estimate of the ASHEP varies from 4.28 to 4.85 V and, as has been previously shown and is reconfirmed here, (ii) the calculated work function strongly depends on the structure of the water film covering the metal surface. In this paper, we first identify the most accurate experimental reference for the ASHEP by revisiting up-to-date literature, and validate the choice of electron reference level in single-electrode density functional setups. By analyzing a dozen different water structures, built up from water hexamers, in their uncharged [potential of zero charge (PZC)] states on Pt(111), we then determine three different criteria (no net dipole, no charge transfer, and high water flexibility) that a water structure should possess in order for its computed ASHEP to closely match the experimental benchmark. We capture and quantify these three effects by calculating trends in the ASHEP and PZC on eight close-packed transition metals, considering the four most simple and representative water models. Finally, it is also demonstrated how the work function changes with exchange-correlation functional.

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The Behavior of Water on Metal Surfaces

Cited by 50 publications

References 213 publications

Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction

Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction

Transient kinetics of carbon monoxide oxidation by oxygen over supported palladium/ceria/zirconia three-way catalysts in the absence and presence of water and carbon dioxide

Standard hydrogen electrode and potential of zero charge in density functional calculations

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The Behavior of Water on Metal Surfaces

Cited by 50 publications

References 213 publications

Identification of Hydroxyl Groups on Au Surfaces Formed by H2O(a) + O(a) Reaction

Identification of Hydroxyl Groups on Au Surfaces Formed by H2O(a) + O(a) Reaction

Transient kinetics of carbon monoxide oxidation by oxygen over supported palladium/ceria/zirconia three-way catalysts in the absence and presence of water and carbon dioxide

Standard hydrogen electrode and potential of zero charge in density functional calculations

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Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction

Identification of Hydroxyl Groups on Au Surfaces Formed by H₂O(a) + O(a) Reaction