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R Imbihl

Publications and source records attributed to R Imbihl.

At least 19 recordsLinked to original sources

Adsorbate coverages and surface reactivity in methanol oxidation over Cu(110): An in situ photoelectron spectroscopy study.

The adsorbate species present during partial oxidation of methanol on a Cu(110) surface have been investigated in the 10(-5) mbar range with in situ x-ray photoelectron spectroscopy and rate measurements. Two reaction intermediates were identified, methoxy with a C 1s binding energy (BE) of 285.4 eV and formate with a C 1s BE of 287.7 eV. The c(2x2) overlayer formed under reaction conditions is assigned to formate. Two states of adsorbed oxygen were found characterized by O 1s BE's of 529.6 and 528.9 eV, respectively. On the inactive surface present at low T around 300-350 K formate dominates while methoxy is almost absent. Ignition of the reaction correlates with a decreasing formate coverage. A large hysteresis of approximately 200 K occurs in T-cycling experiments whose correlation with adsorbate species was studied with varying oxygen and methanol partial pressures. The two branches of the hysteresis differ mainly in the amount of adsorbed oxygen, the methoxy species, and a carbonaceous species. Methoxy covers only a minor part of the catalytic surface reaching at most 20%. Above 650 K the surface is largely adsorbate-free.

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Theoretical analysis of internal fluctuations and bistability in CO oxidation on nanoscale surfaces.

The bistable CO oxidation on a nanoscale surface is characterized by a limited number of reacting molecules on the catalytic area. Internal fluctuations due to finite-size effects are studied by the master equation with a Langmuir-Hinshelwood mechanism for CO oxidation. Analytical solutions can be found in a reduced one-component model after the adiabatic elimination of one variable which in our case is the oxygen coverage. It is shown that near the critical point, with decreasing surface area, one cannot distinguish between two macroscopically stable stationary states. This is a consequence of the large fluctuations in the coverage which occur on a fast time scale. Under these conditions, the transition times between the macroscopic states also are no longer separated from the short-time scale of the coverage fluctuations as is the case for large surface areas and far away from the critical point. The corresponding stationary solutions of the probability distribution and the mean first passage times calculated in the reduced model are supported by numerics of the full two-component model.

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K and mixed K+O adlayers on Rh(110).

The evolution of the structure of the adlayers and the substrate during adsorption of K and coadsorption of K and O on Rh(110) is studied by scanning tunneling microscopy and low-energy electron diffraction. The K adsorption at temperature above 450 K leads to consecutive (1x4), (1x3), and (1x2) missing-row reconstructions for coverage up to 0.12 ML, which revert back to (1x3) and (1x4) with increasing coverage up to 0.21 ML. The coadsorption of different oxygen amount at T>450 K and eventually following reduction-reoxidation cycles led to a wealth of coadsorbate structures, all involving substrate missing-row-type reconstructions, some including segmentation of Rh rows along the [110] direction. The presence of K stabilizes the (1x2) missing-row reconstruction, which facilitates the formation of a great variety of very open (10x2)-type reconstructions at high oxygen coverage, not observed in the single adsorbate systems.

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A realistic kinetic Monte Carlo simulation of the faceting of a Pt(110) surface under reaction conditions.

The faceting process on Pt(110) is studied with the help of a kinetic Monte Carlo model taking into account realistic Pt-Pt, Pt-CO, and Pt-O interactions. The activation energies of the allowed atomic steps are estimated using available computational and experimental data. The model well reproduces the region in the parameter space where faceting occurs. Under kinetic instability conditions, the simulated faceted pattern forms a periodic hill and valley structure with a lateral periodicity of approximately 140-170 A, which is comparable with experimental data. The simulations reproduce the development of faceting on a realistic time scale.

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Promoter-induced reactive phase separation in surface reactions.

Promoters are adsorbed mobile species which do not directly participate in a catalytic surface reaction, but can influence its rate. Often, they are characterized by strong attractive interactions with one of the reactants. We show that these conditions lead to a Turing instability of the uniform state and to the formation of reaction-induced periodic concentration patterns. Experimentally such patterns are observed in catalytic water formation on a Rh(110) surface in the presence of coadsorbed potassium.

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Critical behavior in an atomistic model for a bistable surface reaction: CO oxidation with rapid CO diffusion.

We analyze critical behavior associated with the loss of bistability for an atomistic model for CO oxidation on surfaces in the limit of infinite diffusion of CO. The model includes infinite nearest-neighbor repulsions between adsorbed immobile O. We use a "hybrid" treatment incorporating a lattice-gas description of the O adlayer, but tracking just the number of adsorbed CO (which are randomly distributed on non-O sites). The critical exponents obtained from a finite-size-scaling analysis on LxL site surfaces with periodic boundary conditions show that the "hybrid" reaction model belongs to the mean-field universality class, despite strong spatial correlations in the O adlayer. We also quantify finite-size effects in the global bifurcation diagram, revealing a significant shift of the bistable region with decreasing system size. Our study elucidates fluctuation effects observed in experiments of CO oxidation on the nanoscale facets of metal-field emitter tips.

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Catalytic CO oxidation on nanoscale Pt facets: effect of interfacet CO diffusion on bifurcation and fluctuation behavior.

We present lattice-gas modeling of the steady-state behavior in CO oxidation on the facets of nanoscale metal clusters, with coupling via interfacet CO diffusion. The model incorporates the key aspects of the reaction process, such as rapid CO mobility within each facet and strong nearest-neighbor repulsion between adsorbed O. The former justifies our use of a "hybrid" simulation approach treating the CO coverage as a mean-field parameter. For an isolated facet, there is one bistable region where the system can exist in either a reactive state (with high oxygen coverage) or a (nearly CO-poisoned) inactive state. Diffusion between two facets is shown to induce complex multistability in the steady states of the system. The bifurcation diagram exhibits two regions with bistabilities due to the difference between adsorption properties of the facets. We explore the role of enhanced fluctuations in the proximity of a cusp bifurcation point associated with one facet in producing transitions between stable states on that facet, as well as their influence on fluctuations on the other facet. The results are expected to shed more light on the reaction kinetics for supported catalysts.

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