| 1. |
- Balmes, Olivier, et al.
(författare)
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Reversible formation of a PdCx phase in Pd nanoparticles upon CO and O-2 exposure
- 2012
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Ingår i: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9084 .- 1463-9076. ; 14:14, s. 4796-4801
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Tidskriftsartikel (refereegranskat)abstract
- The structure and chemical composition of Pd nanoparticles exposed to pure CO and mixtures of CO and O-2 at elevated temperatures have been studied in situ by a combination of X-ray Diffraction and X-ray Photoelectron Spectroscopy in pressures ranging from ultra high vacuum to 10 mbar and from room temperature to a few hundred degrees celsius. Our investigation shows that under CO exposure, above a certain temperature, carbon dissolves into the Pd particles forming a carbide phase. Upon exposure to CO and O-2 mixtures, the carbide phase forms and disappears reversibly, switching at the stoichiometric ratio for CO oxidation. This finding opens new scenarios for the understanding of catalytic oxidation of C-based molecules.
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| 2. |
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| 3. |
- Hellman, Anders, 1974, et al.
(författare)
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The Active Phase of Palladium during Methane Oxidation
- 2012
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Ingår i: Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 3:6, s. 678-682
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Tidskriftsartikel (refereegranskat)abstract
- The active phase of Pd during methane oxidation is a long- standing puzzle, which, if solved, could provide routes for design of improved catalysts. Here, density functional theory and in situ surface X-ray diffraction are used to identify and characterize atomic sites yielding high methane conversion. Calculations are performed for methane dissociation over a range of Pd and PdOx surfaces and reveal facile dissociation on either under-coordinated Pd sites in PdO(101) or metallic surfaces. The experiments show unambiguously that high methane conversion requires sufficiently thick PdO(101) films or metallic Pd, in full agreement with the calculations. The established link between high activity and atomic structure enables rational design of improved catalysts.
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| 4. |
- Knudsen, Jan, et al.
(författare)
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Low-Temperature CO Oxidation on Ni(111) and on a Au/Ni(111) Surface Alloy
- 2010
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Ingår i: ACS Nano. - : American Chemical Society (ACS). - 1936-086X .- 1936-0851. ; 4:8, s. 4380-4387
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Tidskriftsartikel (refereegranskat)abstract
- From an interplay between scanning tunneling microscopy, temperature programmed desorption, X-ray photoelectron spectroscopy, and density functional theory calculations we have studied low-temperature CO oxidation on Au/Ni(111) surface alloys and on Ni(111). We show that an oxide is formed on both the Ni(111) and the Au/Ni(111) surfaces when oxygen is dosed at 100 K, and that CO can be oxidized at 100 K on both of these surfaces in the presence of weakly bound oxygen. We suggest that low-temperature CO oxidation can be rationalized by CO oxidation on O-2-saturated NiO(111) surfaces, and show that the main effect of Au in the Au/Ni(111) surface alloy is to block the formation of carbonate and thereby increase the low-temperature CO2 production.
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| 5. |
- Mittendorfer, Florian, et al.
(författare)
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Oxygen-Stabilized Rh Adatoms: 0D Oxides on a Vicinal Surface
- 2011
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Ingår i: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 2:21, s. 2747-2751
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Tidskriftsartikel (refereegranskat)abstract
- We have investigated the initial oxidation of the Rh(113) and Rh(223) vicinal surfaces by STM and ab initio simulations. Upon adsorption of small amounts of oxygen, the surface morphology is completely altered. Surprisingly, oxygen-stabilized Rh adatoms can be observed on the (113) facets, with oxide-like electronic properties. We present models of these "0D oxide" phases and discuss reasons for their stability.
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