Equilibrium surface segregation of dissolved nonmetal atoms on iron(100) faces

Grabke, H. J.; Paulitschke, W.; Tauber, Günter; Viefhaus, H.

doi:10.1016/0039-6028(77)90353-3

Cited by 239 publications

(48 citation statements)

References 13 publications

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“…This is observed in our experiments as carbon segregation while cooling down to room temperature, already also known from literature [9,19]. The small solubility of C in Fe and Ni was already used for surface enrichment experiments and the measurement of bulk to surface diffusion and segregation, respectively, applying AES and LEED analysis [30][31][32][33]. Furthermore, this behavior indicates a diffusion reaction comprising of multiple elemental processes which, however, cannot be observed separately in our experiments.…”

Section: Dft Calculationssupporting

confidence: 80%

Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

Wiltner

Linsmeier

Jacob

2008

The Journal of Chemical Physics

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This paper investigates the reactivity of elemental carbon films deposited from the vapor phase with Fe and Ni substrates at room temperature. X-ray photoelectron spectroscopy (XPS) measurements are presented as a method for evaluating kinetic reaction data. Carbon films are deposited on different surface orientations representing geometries from a dense atom packing as in fcc (111), to an open surface structure, as in fcc (100). During annealing experiments several reactions are observed (carbon subsurface diffusion, carbide formation, carbide decomposition, and graphite ordering). These reactions and the respective kinetic parameters are analyzed and quantified by XPS measurements performed while annealing at elevated temperatures (620-820 K). The resulting activation barriers for carbon subsurface diffusion are compared with calculated values using the Density Functional Theory (DFT). The determined kinetic parameters are used to reproduce the thermal behavior of carbon films on nickel surfaces. PACS numbers: 81.05.J, 68.35.D, 71.15.M, 79.60, 82.20

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Section: Dft Calculationssupporting

confidence: 80%

Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

Wiltner

Linsmeier

Jacob

2008

The Journal of Chemical Physics

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“…Previous more precise data obtained from LEED intensity analysis, as well as theoretical consideration confirm the locations of oxygen [15][16][17][18] and nitrogen [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30] atoms. The EHT calculations performed in this study show full accordance in the case of oxygen adsorption.…”

Section: Discussionsupporting

confidence: 53%

“…Previous LEED study on iron (100) surface covered with carbon or oxygen atoms indicated formation of bidimensional structures, c(2 x 2)-C and c(2 x 2)-N. The ordered carbon structure was obtained by carbon segregation to the sample surface [23], or by thermal decomposition of ethylene [24,25]. c(2 x 2)-N was received by segregation [23] or dissociative adsorption of N2 [26], NH3 [27], or CH3NHNH2 [28].…”

Section: Discussionmentioning

confidence: 99%

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Adsorbate-Induced Restructuring of the Fe(100) Surface: Model Cluster Studies

1992

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Mo mms e n s t r a ß e 1 3 , O-8 0 2 7 Dr e s d e n , Ge r ma n y (Received May 2' 1991)The Extended Mickel Theory (EHT) has been used to calcułate the energy of iron clusters, Fe13, modelling an Fe(100) surface, as welł as the energy of iron clusters with oxygen, Fe13-O, nitrogen, Fe13-N, or carbon atom, Fe13-C, adsorbed on a reconstructed/non-reconstructed surface. In order to determine the relative positions of iron atoms and of the adsorbed atom a sphere model was employed assuming displacement of only one iron atom.

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“…On the reactions on foil or plate of iron, especially, a number of studies were conducted by many authors including Yoshiwara et al [9][10][11][12] and Grabke et al [13][14][15][16] On the other hand, sulfur adsorption of the porous reduced iron particles has not studied at all because of the difficulties in the surface analysis of the porous iron in spite of its importance.…”

Section: Introductionmentioning

confidence: 99%

Sulfur Sorption Rate and Equilibrium Content of Reduced Iron in H2-H2S Mixtures

Iguchi

Itoh²

2004

ISIJ International

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Contents and rates of the sulfur sorption on the reduced iron from hematite and limonite were measured in the atmosphere of H 2 -H 2 S mixture of sulfur activity less than unity by combining the thermogravimetric method with the reaction interruption method. The sulfur content by the former was a half the content by the latter presumably owing to the sorbed sulfur exchanged with sorbed oxygen. In this study, the saturated content of sulfur, which is attained after enough long time, was estimated by the latter and the sorption rate was measured by the former. The equilibrium content was properly expressed by the Langmuir's isotherm. The simulation of the sorption rate by the parallel model, in which the diffusion of gas molecules in the pore and the diffusion of adsorbed species on the wall of the pore were taken into account, was tried. It was successful with the sulfur sorption of the reduced iron from limonite and the diffusion was mainly surface diffusion at 873 K, but it gradually shifted to the diffusion in pore with increasing temperature. But any trial was unsuccessful with that from the hematite. The reason may be attributed to, in the reduced iron from the hematite, the contribution of sulfur segregated on the grain boundary of reduced iron is significant relative to the total sorption content to the content of sulfur adsorbed on the surface pore.

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Equilibrium surface segregation of dissolved nonmetal atoms on iron(100) faces

Cited by 239 publications

References 13 publications

Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

Adsorbate-Induced Restructuring of the Fe(100) Surface: Model Cluster Studies

Sulfur Sorption Rate and Equilibrium Content of Reduced Iron in H2-H2S Mixtures

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