Adsorption on a polar oxide surface: O2, C2H4and Na on Cr2O3(0001)/Cr(110)

Dillmann, B.; Rohr, F.; Seiferth, Oliver; Klivényi, Gábor; Bender, Michael L.; Homann, K.; Yakovkin, I.N.; Ehrlich, D.; Bäumer, Marcus; Kuhlenbeck, Helmut; Freund, Hans‐Joachim

doi:10.1039/fd9960500295

Cited by 75 publications

(49 citation statements)

References 79 publications

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“…Studies using isotopically labeled oxygen species, however, reveal some aspects of oxygen chemistry on oxide surfaces, in particular, the intermixture of oxygen from the gas phase and oxygen in the oxide lattice [32]. In investigations on the Mars -van Krevelen mechanism those studies play an important role.…”

Section: Resultsmentioning

confidence: 99%

Model Studies on Heterogeneous Catalysts at the Atomic Scale

2014

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Thin single crystalline oxide films comprise perfect supports to grow nanoparticles of metals and other catalytically relevant materials. The model systems thus created can be thoroughly investigated with respect to structure and/or chemical activity applying both, the techniques of surface science under ultrahigh vacuum conditions as well as the traditional techniques applied in catalysis to study chemical kinetics under ambient conditions. We discuss here in particular the oxidation of methanol to formaldehyde on ceria supported vanadia nanoclusters as well as the effect of transition-metal dopants in single crystalline oxides, such as CaO, on the activation of molecular oxygen

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Section: Resultsmentioning

confidence: 99%

Model Studies on Heterogeneous Catalysts at the Atomic Scale

2014

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“…However, if the surface is reduced the situation changes considerably. We note that, different from Cr 2 O 3 (0001) [28], where we encountered a similar structural situation, the vanadyl groups cannot be reduced thermally without destroying the surface structure [16,19]. In fact, it is necessary to electron bombard the surface to selectively remove the vanadyl oxygen atoms as shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Selectivity in Methanol Oxidation as Studied on Model Systems Involving Vanadium Oxides

et al. 2008

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Oxidation catalysts are modeled by oxide single crystals, thin oxide films, as well as supported oxide nanoparticles. We characterize the surface of those materials using a variety of surface sensitive techniques including scanning tunneling microscopy and spectroscopy, photoelectron spectroscopy, infrared spectroscopy, and thermal desorption spectroscopy. We find temperature dependent structural transformations from V 2 O 5 (001) to V 2 O 3 (0001) via V 6 O 13 (001). V 2 O 3 (0001) is found to be vanadyl terminated in an oxygen ambient and it loses the vanadyl termination after electron bombardment. It is shown that the concentration of vanadyl groups controls the selectivity of the methanol oxydehydrogenation towards formaldehyde. A proposal for the mechanism is made. The results on single crystalline thin films are compared with similar measurements on deposited vanadia nanoparticles. The experimental results are correlated with theoretical calculations and models.

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“…[14][15][16][17][18][19] In fact, it has been shown that the surface polarity can be healed by nonstoichiometric reconstructions, metalization of the surface layer, or by absorption of charged species. Furthermore, metal-oxide interfaces may have a role in stabilizing polar surfaces.…”

Section: Introductionmentioning

confidence: 99%

Interplay between structural, magnetic, and electronic properties in aFeO∕Pt(111)ultrathin film

et al. 2007

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We have investigated the magnetic and electronic properties of a FeO film grown on Pt(111).Coupling first principle GGA+U calculations with STM measurements we have identified the principal mechanisms for the structural and electronic non-homogeneous characteristics observed in the Moiré unit cell formed between oxide film and metal support. We show that both free and supported FeO(111) monolayers present an anti-parallel alignment of the magnetic moments and that the modulation of structural and electronic film properties is driven by the local strength of the interaction between the film and the substrate. Namely, due to the lattice mismatch between Pt (111) and the FeO film, the interface properties are different in different regions of the supercell. In particular, for the Fe-top site, where this interaction is weak, the resulting small layer rumpling and large interface separation give origin to a peculiar behavior of the work function, coherent with the most recent experimental findings. In what concerns fine structural and electronic characteristics, in particular the modulation of the work function and the site assignment in the STM images, our results show that a good agreement with the experimental interpretations can be obtained only within more robust, non-pseudomorphic computational models.

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Adsorption on a polar oxide surface: O₂, C₂H₄and Na on Cr₂O₃(0001)/Cr(110)

Cited by 75 publications

References 79 publications

Model Studies on Heterogeneous Catalysts at the Atomic Scale

Model Studies on Heterogeneous Catalysts at the Atomic Scale

Selectivity in Methanol Oxidation as Studied on Model Systems Involving Vanadium Oxides

Interplay between structural, magnetic, and electronic properties in aFeO∕Pt(111)ultrathin film

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