<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>Fe</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>films on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Fe</mml:mi><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>: Termination and recons

Spiridis, N.; Barbasz, Jakub; Łodziana, Zbigniew; Korecki, J.

doi:10.1103/physrevb.74.155423

Cited by 66 publications

(63 citation statements)

References 27 publications

(68 reference statements)

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“…The terminations often coexist and the structure of each remains somewhat controversial 12 , so it is difficult to draw further conclusions. The (001) surface, in contrast, undergoes a (√2×√2)R45̊ reconstruction that dominates over a wide range of chemical potentials [13][14][15][16] . The reconstruction is linked to a rearrangement in the subsurface, but the surface layer is essentially bulk-like save for a subtle distortion of the lattice and the fact that all surface cations are Fe 3+ 13 .…”

Section: Introductionmentioning

confidence: 99%

Adsorption of Formic Acid on the Fe₃O₄(001) Surface

et al. 2015

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Section: Introductionmentioning

confidence: 99%

Adsorption of Formic Acid on the Fe₃O₄(001) Surface

et al. 2015

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“…The films were prepared applying the growth procedure and the LEED and CEMS characterization in a multi-chamber UHV system reported previously [4,5] Table) and the bi-layer films (S4, S6, S7) were annealed for 30 min, respectively, at 520 K and 800 K. For underlying the annealing effect, we study two bi-layer films with similar thickness, one under post-annealing (S6) and another one (S9) without annealing (non-ann.). Besides, in order to get clear features of the Fe layer beneath the Fe 3 O 4 layer, we also study a bi-layer film with a thin Fe 3 O 4 layer (≈ 8 nm) deposited on a thick Fe buffer (≈ 50 nm, S8 non-ann.)).…”

Section: Methodsmentioning

confidence: 99%

“…bi-layer magnetite film or Fe 3 O 4 /Fe/MgO(001) film). The film characterizations by low energy electron diffraction (LEED) and conversion electron Mössbauer spectroscopy (CEMS) have revealed a surface oxidation and Mg outdiffusion from MgO substrate into the film for the single-layer Fe 3 O 4 films, whereas no Mg diffusion was observed for the bi-layer ones, since it could be prevented by the Fe layer [4,5].…”

Section: Introductionmentioning

confidence: 99%

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Interface Properties of Single and Bi-Layer Fe₃O₄Films Grown on MgO(001) Studied by RBS and Channeling Experiments

et al. 2010

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Series of Fe 3 O 4 /MgO(001) and Fe 3 O 4 /Fe/MgO(001) films (single-and bi-layer films, respectively) with a total layer thickness in the range of 20÷150 nm were investigated by the Rutherford backscattering spectrometry (2 MeV He + ion beam), by the Rutherford backscattering spectrometry channeling experiments (1.5 MeV He + ion beam). Depending on the layer thickness of each layer and the film geometry, a single Fe peak and/or a double-anomaly feature was revealed in the Rutherford backscattering spectra. For all films no magnesium presence in the surface layer was observed. For both single-and bi-layer films with a total layer thickness less than 60 nm only one minimum was observed in the channeling curves, while a double minimum was revealed for the bi-layer films with a larger thickness. X-ray reflectometry measurements have revealed that the film density is the same as that of the bulk one.

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“…The coupling between spin and orbital moments leads to intricate electronic structures that depend on the U value. Thus, the present theoretical models cannot yet be employed as black-boxes for this type of calculations [73,74]. In summary, for some nanoparticles in the form of mixed oxides, to address the issue of the nature, stoichiometry, surface termination, dispersion and stability is still a challenge.…”

Section: Structurementioning

confidence: 99%

How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

et al. 2013

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Theoretical simulations in the field of heterogeneous catalysis started about two decades ago when the main goal was to understand the activation of small molecules on infinite surfaces. The improvements in the accuracy and the large availability of computers with increasing power have raised the quality of the calculations, the reliability of the results and prompted the interest in their predictions. Such changes have also allowed the study of nanoparticles by the combined investigation of different facets or by taking into account the complete structures. As for the reactivity, theoretical simulations allow the comparison of different synthetic conditions within the same approximation. Consequently, large systematic studies with the same theoretical models can provide databases for properties, structures, prove and disprove hypothetical reaction paths, identify intermediates, and complete the understanding of reaction mechanisms. In some cases, simulations support and give explanations to experiments but new emerging aspects such as the prediction of new properties or the analysis of complex systems are possible. Several challenges are ahead the simulations of reactions on nanoparticles: (i) how to drive the synthesis to achieve the desired architectures and (ii) how to stabilize the active phase under reaction conditions.

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Fe3O4(001)films onFe(001): Termination and recons

Cited by 66 publications

References 27 publications

Adsorption of Formic Acid on the Fe₃O₄(001) Surface

Adsorption of Formic Acid on the Fe₃O₄(001) Surface

Interface Properties of Single and Bi-Layer Fe₃O₄Films Grown on MgO(001) Studied by RBS and Channeling Experiments

How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

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Fe3O4(001)films onFe(001): Termination and recons

Cited by 66 publications

References 27 publications

Adsorption of Formic Acid on the Fe3O4(001) Surface

Adsorption of Formic Acid on the Fe3O4(001) Surface

Interface Properties of Single and Bi-Layer Fe3O4Films Grown on MgO(001) Studied by RBS and Channeling Experiments

How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

Contact Info

Product

Resources

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Adsorption of Formic Acid on the Fe₃O₄(001) Surface

Adsorption of Formic Acid on the Fe₃O₄(001) Surface

Interface Properties of Single and Bi-Layer Fe₃O₄Films Grown on MgO(001) Studied by RBS and Channeling Experiments