The adsorption of oxygen on a stepped platinum single crystal surface

Gland, John L.; Корчак, В. Н.

doi:10.1016/0039-6028(78)90190-5

Cited by 166 publications

(71 citation statements)

References 15 publications

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“…This suggests that the energy of the Pt-H 2 O bond is somewhere in the range of k B T where 400 K < T < 1000 K. We ran subsequent molecular dynamic simulations with a thermostat of 500, 600, 650, 700, 750, and 800 K; we find that the initial wetting peak starts to decrease in size around 600 K, and is almost completely gone at 800 K. This is consistent with previous thermal desorption spectroscopy experiments done for oxygen-Pt [49] and hydrogen-Pt [50] interfaces. Here, it was found that hydrogen desorbs around 420…”

Section: Assessing the Importance Of Van Der Waals Interactionssupporting

confidence: 76%

Structural characterization of water-metal interfaces

Ryczko

Tamblyn

2017

Phys. Rev. B

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We analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including Pt, graphite, and graphene. Our results are built on BornOppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid water-graphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the Pt surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water.

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Section: Assessing the Importance Of Van Der Waals Interactionssupporting

confidence: 76%

Structural characterization of water-metal interfaces

Ryczko

Tamblyn

2017

Phys. Rev. B

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“…Different reaction mechanisms of NH 3 oxidation are reportedly associated with different oxygen species [1,7,[14][15][16]. Zawadzki [1] proposed that O was necessary for the very rapid formation of NH, as well as for the HNO intermediate and N 2 O production.…”

Section: Introductionmentioning

confidence: 99%

Mechanism of selective catalytic oxidation of ammonia to nitrogen over Ag/Al2O3

Zhang

2009

Journal of Catalysis

193

127

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Mechanism O 2 uptake In situ DRIFTS a b s t r a c tThe mechanism of selective catalytic oxidation (SCO) of NH 3 over Ag/Al 2 O 3 was studied by NH 3 temperature-programed oxidation, O 2 -pulse adsorption, and in situ DRIFTS of NH 3 adsorption and oxidation. The essence which affects the low temperature activity of Ag/Al 2 O 3 has been elucidated through the mechanism study. Different Ag species on Ag/Al 2 O 3 significantly influence O 2 uptake by catalysts; while different oxygen species affect the activity of NH 3 oxidation at low temperature. The activated -NH could react with the atomic oxygen (O) at low temperatures (<140°C); however, the -NH could also interact with the O 2 at temperatures above 140°C. At low temperatures (<140°C), NH 3 oxidation follows the -NH mechanism. However, at temperatures above 140°C, NH 3 oxidation follows an in situ selective catalytic reduction (iSCR) mechanism (two-step formation of N 2 via the reduction of an in situ-produced NO x species by a NH x species).

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“…Catalytic etching of Pt catalysts during ammonia oxidation was not detected at pressures below 15 Pa even after extended periods of catalyst operation [9,10], an observation confirmed by our recent study on the influence of pressure on structural and catalytic properties of different platinum catalysts [11]. At higher reactant partial pressures (kPa range), the reconstruction of Pt surfaces has been studied during catalytic ammonia oxidation at temperatures above 600 8C on polycrystalline platinum in the shape of wires [4,6,7,12], gauzes [5,13,14], and spheres [15].…”

Section: Introductionmentioning

confidence: 99%

Morphology changes of Pt-foil catalyst induced by temperature-controlled ammonia oxidation near atmospheric pressure

Kraehnert

Baerns

2007

Applied Catalysis A: General

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Reaction-induced changes of the morphology of a Pt foil catalyst during ammonia oxidation were investigated in a temperature-controlled way for partial pressures of oxygen and ammonia around 4.5 and 3 kPa, respectively, and at temperatures between 20 and 700 8C. The presence of the feed mixture (ammonia and oxygen) was required to induce surface roughening. Moreover, the reaction temperature controlled the type of restructuring of the Pt surface, that is, either into rows of parallel facets where facet size increased with temperature, or as bulky microcrystals protruding from the surface. Surprisingly, reaction-induced surface faceting was already observed at 286 8C. Between 286 and 374 8C adsorbateenhanced surface diffusion of Pt is suggested to account for the surface restructuring well below temperatures reported for significant Pt transport through the gas phase via volatile PtO x .

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The adsorption of oxygen on a stepped platinum single crystal surface

Cited by 166 publications

References 15 publications

Structural characterization of water-metal interfaces

Structural characterization of water-metal interfaces

Mechanism of selective catalytic oxidation of ammonia to nitrogen over Ag/Al2O3

Morphology changes of Pt-foil catalyst induced by temperature-controlled ammonia oxidation near atmospheric pressure

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