Reliability of detailed LEED structural analyses: Pt(111) and Pt(111)-p(2×2)-O

Materer, Nicholas F.; Starke, Ulrich; Barbieri, A.; Döll, R.; Heinz, K.; Hove, M.A. Van; Somorjai, G.A.

doi:10.1016/0039-6028(94)00703-9

Cited by 194 publications

(172 citation statements)

References 32 publications

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“…This "anomalous" relaxation is already documented in literature. 46,47 The change of d 12 relative to the theoretical interlayer bulk distance (∆d 12 ) for Cu is −0.9 % using PBE, in agreement with calculations of Neef (PW91); the same quantity calculated using PBE0 (HSE03) is −1.8 % (−0.9 %) which is again close to the one obtained using B3LYP in the same work (−1.2 %). For Rh, ∆d 12 is −1.6% (PBE), −0.6 % (PBE0), −1.0 % (HSE03) and for Pt it is +0.7 % (PBE), +1.3 % (PBE0) and +1.3 % (HSE03).…”

Section: Bulk Bare Surface and Co Moleculesupporting

confidence: 85%

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CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

et al. 2007

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Section: Bulk Bare Surface and Co Moleculesupporting

confidence: 85%

“…The comparison with experiment is not simple due to the large uncertainties of the experimental values: for Cu ∆d 12 is −1.0±0.4 %, 48 for Rh it is −1.3±0.9 %, 49 and for Pt it is +1.1±0.4 % . 47 Agreement between our calculations and experimental results is certainly reasonable.…”

Section: Bulk Bare Surface and Co Moleculesupporting

confidence: 74%

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

et al. 2007

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“…3a) in the FEFF8 input, we calculated spectra for 1 ML Pt/Rh(111) without any adsorbate, with a mixed OH/H 2 O c(3 × 3) layer, as well as chemisorbed oxygen p(2 × 2) and p(2 × 1) layers corresponding to oxygen coverages of 0.25 and 0.5 ML, respectively. The hypothetical adlayer structures of oxygencontaining species were modeled after structures that have been experimentally observed on Pt(111) [31][32][33][34][35] , using the same Pt-O bond distances and laterally compressing the unit cells to match with the Pt/Rh(111) lattice (Supplementary Table S1). …”

Section: Resultsmentioning

confidence: 99%

In situ X-ray probing reveals fingerprints of surface platinum oxide

Friebel

Miller

O’Grady

et al. 2011

Phys. Chem. Chem. Phys.

115

109

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In situ x-ray absorption spectroscopy (XAS) at the Pt L 3 edge is a useful probe for Pt-O interactions at polymer electrolyte membrane fuel cell (PEMFC) cathodes. We show that XAS using the high energy resolution fluorescence detection (HERFD) mode, applied to a well-defined monolayer Pt/Rh(111) sample where the bulk penetrating hard x-rays probe only surface Pt atoms, provides a unique sensitivity to structure and chemical bonding at the Pt-electrolyte interface. Ab initio multiple-scattering calculations using the FEFF8 code and complementary extended x-ray absorption fine structure (EXAFS) results indicate that the commonly observed large increase of the white-line at high electrochemical potentials on PEMFC cathodes originates from platinum oxide formation, whereas previously proposed chemisorbed oxygen-containing species merely give rise to subtle spectral changes.

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“…The industrial and technological importance is reflected in the efforts by the scientific community to understand the interaction between the platinum surface and gas phase oxygen over the last four decades [1][2][3][4][5][6][7][8][9][10][11]. Although this effort has yielded a wealth of information, we show in this article that even the most intensely studied system, O 2 /Pt(111), can still yield surprising results that affect our view of the catalytic action under realistic conditions.…”

Section: Introductionmentioning

confidence: 82%

Subsurface Oxygen on Pt(111) and Its Reactivity for CO Oxidation

et al. 2011

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Temperature has an important effect on the dissociative adsorption of molecular oxygen on platinum surfaces. Here, we show that if the substrate temperature is increased to 400-600 K, the total amount of oxygen loaded onto Pt(111) can be more than twice the well-established maximum coverage of 0.25 ML. While low energy electron diffraction and STM reveal a conventional p(2 9 2) structure of the topmost layer, temperature programmed desorption measurements indicate that additional oxygen is stored under the surface of platinum. Reactivity measurements show that this sub-surface oxygen layer does not lower the activity of such platinum surface towards CO oxidation. Therefore, while sub-surface oxygen layer does form under catalytically relevant temperatures on Pt(111), it has no great influence on the oxidizing ability of such surface. This sheds new light on the initial stages of platinum oxide formation, and may help bridge the understanding of catalytic oxidation of CO on Pt in ultra high vacuum and in high-pressure catalysis studies.

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Reliability of detailed LEED structural analyses: Pt(111) and Pt(111)-p(2×2)-O

Cited by 194 publications

References 32 publications

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set

In situ X-ray probing reveals fingerprints of surface platinum oxide

Subsurface Oxygen on Pt(111) and Its Reactivity for CO Oxidation

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