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| 2. |
- Knapp, M., et al.
(författare)
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Complex interaction of hydrogen with the RuO2(110) surface
- 2007
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 111:14, s. 5363-5373
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Tidskriftsartikel (refereegranskat)abstract
- Using a variety of dedicated surface sensitive techniques, we studied the interaction of hydrogen with bare and adsorbate modified RuO2(110) surfaces on the atomic scale. Hydrogen interacts strongly with the undercoordinated O atoms, thereby forming hydroxyl groups and passivating available oxygen species on the oxide surface, for instance, for the catalytic CO oxidation reaction. Temperature programmed reaction and desorption elucidate the complex reaction behavior of hydrogen with O precovered RuO2(110), including the hydrogen transfer reaction between the different kinds of undercoordinated surface oxygen atoms. Hydroxyl, water species, and hydrogen transfer are identified with high-resolution O1s core level spectroscopy by comparison with density functional theory (DFT) calculated O1s core level shifts. DFT calculations provide adsorption energies, atomic geometries, as well as diffusion barriers of H atoms on the RuO2(110) surface.
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| 3. |
- Knapp, M., et al.
(författare)
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Unusual process of water formation on RuO2(110) by hydrogen exposure at room temperature
- 2006
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Ingår i: The Journal of Physical Chemistry Part B. - : American Chemical Society (ACS). - 1520-5207 .- 1520-6106. ; 110:29, s. 14007-14010
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Tidskriftsartikel (refereegranskat)abstract
- The reduction mechanism of the RuO2(110) surface by molecular hydrogen exposure is unraveled to an unprecedented level by a combination of temperature programmed reaction, scanning tunneling microscopy, high-resolution core level shift spectroscopy, and density functional theory calculations. We demonstrate that even at room temperature hydrogen exposure to the RuO2(110) surface leads to the formation of water. In a two-step process, hydrogen saturates first the bridging oxygen atoms to form (O-br-H) species and subsequently part of these O-br-H groups move to the undercoordinated Ru atoms where they form adsorbed water. This latter process is driven by thermodynamics leaving vacancies in the bridging O rows.
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| 4. |
- Seitsonen, A. P., et al.
(författare)
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Reaction mechanism of ammonia oxidation over RuO2(110): A combined theory/experiment approach
- 2009
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Ingår i: Surface Science. - : Elsevier BV. - 0039-6028. ; 603:18, s. 113-116
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Tidskriftsartikel (refereegranskat)abstract
- Combining state-of-the-art density functional theory (DFT) calculations with high resolution core level shift spectroscopy experiments we explored the reaction mechanism of the ammonia oxidation reaction over RuO2(1 1 0). The high catalytic activity of RuO2(1 1 0) is traced to the low activation energies for the successive hydrogen abstractions of ammonia by on-top O (less than 73 kJ/mol) and the low activation barrier for the recombination of adsorbed O and N (77 kJ/mol) to form adsorbed NO. The NO desorption is activated by 121 kJ/mol and represents therefore the rate determining step in the ammonia oxidation reaction over RuO2 (1 1 0). (C) 2009 Elsevier B.V. All rights reserved.
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| 5. |
- Zweidinger, S., et al.
(författare)
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Reaction mechanism of the oxidation of HCl over RuO2(110)
- 2008
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 112:27, s. 9966-9969
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Tidskriftsartikel (refereegranskat)abstract
- High-resolution core-level shift spectroscopy and temperature-programmed reaction experiments together with density functional theory calculations reveal that the oxidation of HCl with oxygen producing Cl-2 and water proceeds on the chlorine-stabilized RuO2(110)surface via a one-dimensional Langmuir-Hinshelwood mechanism. The recombination of two adjacent chlorine atoms on the catalyst's surface constitutes the rate-determining step in this novel Deacon-like process.
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