FeO(111) formation by exposure of Fe(110) to atomic and molecular oxygen

Busch, M.; Gruyters, M.; Winter, H.

doi:10.1016/j.susc.2006.05.003

Cited by 27 publications

(24 citation statements)

References 27 publications

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“…The authors also noted the formation of a FeO(111)-type structure at 18.5 L, which transitioned into a reconstructed quasi-hexagonal (5×12) phase following an annealing step at 620 K. This sequence of formation was also observed by other groups [15,[18][19][20], although Weissenrieder et al indicated the formation of an additional (2×5) structure at low coverages [21]. In various studies the FeO(111) oxide layer was seen to form parallel to the Fe(110) surface, with a 4-6 % in-plane expansion in this oxide layer relative to bulk FeO [7,22,23]. Sakisaka et al studied the band structure of the (2×2) and (3×1) structures using angle-resolved photoemission spectroscopy [24].…”

Section: Introductionsupporting

confidence: 68%

Incipient FeO(1 1 1) monolayer formation during O-adsorption on Fe(1 1 0) surface

Chohan

Koehler

Jimenez-Melero

2017

Computational Materials Science

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The adsorption of O atoms on the Fe(110) surface has been investigated by density functional theory for increasing degrees of oxygen coverage from 0.25 to 1 monolayer, to follow the evolution of the O-Fe(110) system into an FeO(111)-like monolayer. We found that the quasi-threefold site is the most stable adsorption site for all coverages, with adsorption energies of ~2.8 to 4.0 eV per O atom. Oxygen adsorption results in surface geometrical changes such as interlayer relaxation and buckling, the latter of which decreases with coverage. The calculated vibrational frequencies range from 265-470 cm −1 for the frustrated translational modes and 480-620 cm −1 for the stretching mode, and hence are in good agreement with the experimental values reported for bulk FeO wüstite. The hybridization of the oxygen 2p and iron 3d orbitals increases with oxygen coverage, and the partial density of states for the O-Fe(110) system at full coverage resembles the one reported in the literature for bulk FeO. These results at full oxygen coverage point to the incipient formation of an FeO(111)-like monolayer that would eventually lead to the bulk FeO oxide layer.

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Section: Introductionsupporting

confidence: 68%

Incipient FeO(1 1 1) monolayer formation during O-adsorption on Fe(1 1 0) surface

Chohan

Koehler

Jimenez-Melero

2017

Computational Materials Science

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“…Oxygen adsorption on iron surfaces have been studied experimentally by many authors using a variety of experimental techniques [7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23]. Investigations of the initial stages of the interaction of oxygen with an Fe(100) surface have shown [24,25] that oxygen atoms adsorb in the fourfold coordinated hollow sites on Fe(100).…”

Section: Introductionmentioning

confidence: 99%

Oxygen adsorption on Fe(110) surface revisited

Ossowski

Kiejna

2015

Surface Science

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“…21 The mismatch between the FeO͑111͒ and Fe͑110͒ interfaces prevents the growth of a thicker FeO layer and induces the growth of a ferrimagnetic Fe 3 O 4 film on top of the FeO layer. [11][12][13][14][15][16][17] Very recently, the growth, structure, and morphology of ultrathin FeO͑111͒ films on a Fe͑110͒ surface, which were formed by exposure to atomic or molecular oxygen, were investigated by Busch et al 24 by using various experimental techniques. This investigation demonstrated that for an oxidation by atomic instead of molecular oxygen, the gas exposure required for growing an FeO film can be reduced by almost 2 orders of magnitude because dissociation and sticking do not limit the growth process.…”

Section: Introductionmentioning

confidence: 99%

Dissociative adsorption ofO2molecules on O-precovered Fe(110) and Fe(100): Density-functional calculations

2008

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The dissociative adsorption of O 2 molecules on clean and oxygen-precovered Fe͑110͒ and Fe͑100͒ surfaces has been studied from first principles. For the relatively open Fe͑100͒ surface, we find that along the most favorable reaction channel, O 2 dissociation remains a nonactivated process up to almost full monolayer coverage. The differential heat of adsorption decreases only slowly with increasing oxygen precoverage. The potential energy profile for dissociation shows a dip, which is indicative of the formation of a very short-lived nonmagnetic peroxo precursor. On the close packed Fe͑110͒ surface, the differential heat of adsorption begins to decrease already at a modest precoverage. For dissociation on a surface precovered with about 0.44 monolayer of oxygen, a low barrier begins to appear in the entrance channel. In the transition state, the incoming molecule is in a superoxo state with a magnetic moment of 1 B . Our results are discussed in relation to the electronic and magnetic properties of the partially precovered surfaces and to the available experimental results.

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FeO(111) formation by exposure of Fe(110) to atomic and molecular oxygen

Cited by 27 publications

References 27 publications

Incipient FeO(1 1 1) monolayer formation during O-adsorption on Fe(1 1 0) surface

Incipient FeO(1 1 1) monolayer formation during O-adsorption on Fe(1 1 0) surface

Oxygen adsorption on Fe(110) surface revisited

Dissociative adsorption ofO2molecules on O-precovered Fe(110) and Fe(100): Density-functional calculations

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