Structure determination of an adsorbate-induced multilayer reconstruction: (1×2)-H/Ni(110)

Kleinle, Gerald; Penka, V.; Behm, R. Jürgen; Ertl, G.; Moritz, Wolfgang

doi:10.1103/physrevlett.58.148

Cited by 106 publications

(18 citation statements)

References 22 publications

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“…For Pt(ll0) even a slight row pairing in the fourth layer has been resolved [46]. For the "paired row" (1 x 2) H reconstructions of Ni(ll0) [3] and Pd(ll0) [43] the H induced pairing of the topmost layer causes a buckling of the second layer. Recent refinements of these calculations could identify the -expected -decreasing lateral and vertical displacements in the third and fourth layer, respectively [24,49].…”

Section: Discussionmentioning

confidence: 99%

“…7 for the (1 x 2) "missing row" reconstructed (110) surfaces of Au [2], Ir [45], Pt [46,47] (fig. 7a), the hydrogen covered, (1 X 2) "paired row" reconstructed (110) surfaces of Ni [3] or Pd [43] (fig. 7b) and the present (2 x 1) "missing row" reconstructed, oxygen covered Ni(ll0) surface ( fig.…”

Section: Discussionmentioning

confidence: 99%

“…The Ni phase shifts were obtained from a relativistically calculated free atom charge density renormalized by overlapping the cont~butions from neighboring Ni atoms. These phase shifts were calculated to obtain higher angular momentum components in the extended energy range, they compared very well to a set of phase shift [20] which had been successfully applied in previous LEED intensity calc~ations for clean and hydrogen covered Ni surfaces [3,18,19]. Oxygen phase shifts were taken from the literature [20] and extensively tested in comparison with other sets.…”

Section: Leed Analysismentioning

confidence: 99%

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Reconstruction and subsurface lattice distortions in the (2 × 1)O-Ni(110) structure: A LEED analysis

et al. 1990

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LEED analysis of the reconstructed (2 X 1)0-Ni(ll0) system clearly favors the "missing row" structure over the "saw-tooth" and "buckled row" models. By using a novel computational procedure 8 structural parameters could be refined simultaneously, leading to excellent R-factors (R, = 0.09, R, = 0.18). The adsorbed 0 atoms are located 0.2 A above the long bridge sites in [OOl] direction, presumably with a slight displacement (-0.1 A) in [liO] direction to an asymmetric adsorption site. The nearest-neighbor Ni-0 bond lengths (1.77 A) are rather short. The separation between the topmost two Ni layers is expanded to 1.30 A (bulk value 1.25 A), while that between the second and third layer is slightly contracted to 1.23 A. The third layer is, in addition, slightly buckled (+ 0.05 A). The results are discussed on the basis of our present general knowledge about the structure of adsorbate covered metallic surfaces.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Leed Analysismentioning

confidence: 99%

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Reconstruction and subsurface lattice distortions in the (2 × 1)O-Ni(110) structure: A LEED analysis

et al. 1990

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“…11,12 At coverages above 1 ML, the Ni surface reconstructs into a (2ϫ1) pairing row structure which is saturated at 1.5 ML. 8,[13][14][15][16] The hydrogen atoms are sitting in two different threefold symmetric sites located along the adjacent Ni rows on the topmost layer ͑see details͒. This phase referred to as low temperature ͑LT͒ phase will be studied by angle-resolved photoemission in this paper.…”

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confidence: 99%

“…This issue has been resolved in the last decade using more powerful diffraction methods, scanning tunneling microscopy, and electron energy loss spectroscopy. [7][8][9][10][11][12][13][14][15][16] On Ni͑110͒ two different pathways for the hydrogen adsorption have to be distinguished. At temperatures above 200 K, already at low hydrogen coverages a (2ϫ1) missing row reconstruction of the Ni surface shows up which is completed at a saturation coverage of 1.5 monolayers ͑ML͒.…”

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Identification of electronic bonding states of hydrogen on Ni(110)

et al. 1998

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The electronic structure of hydrogen adsorbed on Ni͑110͒ at 150 K has been studied using angle-resolved photoelectron spectroscopy with monochromatized He I␣ radiation. At a saturation coverage of 1.5 monolayers, we observe a general shift of the spectral weight away from the Fermi level to higher binding energies indicating the hybridization of hydrogen levels with metal d states. Along selected Ni 3d bands the intensity shift is obvious whereas other bands remain unchanged. In addition, contrary to previous observations, a hydrogen induced state is visible at a binding energy of roughly 1. To our knowledge there are no recent photoemission experiments of hydrogen adsorption on Ni͑110͒. Previous investigations on Ni͑110͒ ͑Refs. 2 and 3͒ and on Ni͑111͒ ͑Refs. 4-6͒ reported in great detail on the hydrogen-induced bonding states mentioned above. However, they could not unequivocally decide the debate which metal states are involved in the hydrogen bonding and what symmetry they have. Another uncertainty existed due to a lack of information on the geometrical positions of hydrogen adsorbed on the different Ni single crystal surfaces. This issue has been resolved in the last decade using more powerful diffraction methods, scanning tunneling microscopy, and electron energy loss spectroscopy. [7][8][9][10][11][12][13][14][15][16]

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Chemical Reconstruction of Pt‐Rh(100) Alloy and Pt/Rh(100), Rh/Pt(100) Bimetallic Surfaces

Tanaka

Nieuwenhuys

Tamura³

1995

J Chinese Chemical Soc

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When Cu(110), Ni(l 10), Ag(110) surfaces are exposed to O2 at room temperature, one dimensional metal‐oxygen strings grow in the < 001 > direction of the (110) surfaces. A similar phenomenon occurs in the adsorption of H2 on Ni( 110) surface at room temperature, where the one dimensional strings grow along the < 110 > direction. These phenomena are undoubtedly different from the adsorption induced reconstruction but are explained by the chemical reconstruction involving the formation of quasi‐compounds and their self‐ordering on the metal surfaces. The chemical reconstruction is indispensablly important to understand the structure and catalysis of alloy and bimetallic surfaces. Pt0.25Rh0.75(100) alloy surface being active for the reaction of NO with H2 is an interesting example. When the Pt‐Rh(100) alloy surface is exposed to NO or O2 at arround 500 K, a p(3 × 1) ordered Rh‐O over‐layer is obtained on a Pt‐enriched 2nd layer by the chemical reconstruction. Ordering of Rh‐0 in the p(3 × 1) structure on the Pt(100) surface was reproduced by heating a Rh/Pt(100) bimetallic surface in O2, and the chemical reconstruction making the p(3 × 1) Rh‐O overlayer on a Pt enriched 2nd layer was also proved by heating a Pt/Rh(100) bimetallic surface in O2 or NO. The activation mechanism of the Pt‐Rh alloy and the Pt/Rh bimetallic surfaces by the chemical reconstruction was evidently shown by using a Pt deposited Rh(100), Pt/Rh(100), surface. That is, the Pt/Rh(100) is not so active for the reaction of NO with H2, but the reconstructed p(3 × 1)Rh‐O/Pt‐layer/Rh(100) surface is very active for the reaction. Therefore, it was concluded that the chemical reconstruction of the Pt‐Rh catalyst makes the active surface which is composed of Rh‐O and a Pt layer.

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Structure determination of an adsorbate-induced multilayer reconstruction: (1×2)-H/Ni(110)

Cited by 106 publications

References 22 publications

Reconstruction and subsurface lattice distortions in the (2 × 1)O-Ni(110) structure: A LEED analysis

Reconstruction and subsurface lattice distortions in the (2 × 1)O-Ni(110) structure: A LEED analysis

Identification of electronic bonding states of hydrogen on Ni(110)

Chemical Reconstruction of Pt‐Rh(100) Alloy and Pt/Rh(100), Rh/Pt(100) Bimetallic Surfaces

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