Multilayer distortion in the reconstructed (110) surface of Au

Moritz, Wolfgang; Wolf, D.

doi:10.1016/0039-6028(85)90840-4

Cited by 267 publications

(89 citation statements)

References 34 publications

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“…At low oxygen coverage, a single desorption peak at ~550 K is observed (Fig. S1), in agreement with previous studies [31] which also determined that saturation of this peak corresponds to one monolayer (ML) of oxygen (4 atoms per Au(110)-(1x2) unit cell [21]). …”

Section: Methodssupporting

confidence: 91%

“…[19] Herein, we investigate the bonding of O on Au(110) in order to better exploit atomic-scale imaging using STM in conjunction with DFT studies. The Au(110) surface reconstructs to the missing-row Au(110)-(1x2) structure, which consists of an ordered array of (111) microfacets [20][21][22] capped by rows of atoms with low coordination number along the [1][2][3][4][5][6][7][8][9][10] direction (Fig. 1a).…”

Section: Introductionmentioning

confidence: 99%

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Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

et al. 2016

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The Au(110) surface offers unique advantages for atomically-resolved model studies of catalytic oxidation processes on gold. We investigate the adsorption of oxygen on Au(110) using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) methods. We identify the typical (empty-states) STM contrast resulting from adsorbed oxygen as atomic-sized dark features of electronic origin. DFT-based image simulations confirm that chemisorbed oxygen is generally detected indirectly, from the binding-induced electronic structure modification of gold. STM images show that adsorption occurs without affecting the general structure of the pristine Au(110) missing-row reconstruction. The tendency to form onedimensional structures is observed already at low coverage (<0.05ML), with oxygen adsorbing on alternate sides of the reconstruction ridges. Consistently, calculations yield preferred adsorption on the (111) facets of the reconstruction, on a 3-fold coordination site, with increased stability when adsorbed in chains. Gold atoms with two oxygen neighbors exhibit enhanced electronic hybridization with the O states. Finally, the species observed are reactive to CO oxidation at 200K and desorption of CO 2 leaves a clean and ordered gold surface.2

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Section: Methodssupporting

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

et al. 2016

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“…II A͒, our calculations still indicate a preference for reconstruction, which is in agreement with experiments. [4][5][6][7][8][9][10]32,34 In these experiments it was also observed that at elevated temperatures and an oxygen partial pressure of 5 ϫ 10 −11 atm there is coexistence of different reconstructed surfaces. This is also supported by our calculations, since the stability of the three reconstructed surfaces differs only by 1 -3 meV/ Å 2 , which is within the inaccuracy of the calculations.…”

Section: Resultsmentioning

confidence: 60%

“…While 3d and 4d metals, such as Cu͑110͒, Ag͑110͒, or Pd͑110͒, preferentially reconstruct after adsorption of alkali metals ͑e.g., Na, K or Cs͒, [1][2][3] 5d metals, such as Au͑110͒, Pt͑110͒, or Ir͑110͒, reconstruct already in their clean states. [4][5][6][7][8][9][10] In contrast to clean Au͑110͒ and Pt͑110͒ surfaces, which show a ͑1 ϫ 2͒-missing-row reconstruction, [11][12][13][14][15][16][17] the situation is more complex for Ir͑110͒ and a variety of potential surface structures have been reported. Here the strong tendency towards stable ͕111͖ microfacets and nanofacets seems to be the driving force for different surface reconstructions, trying to minimize the overall surface free energy.…”

Section: Introductionmentioning

confidence: 99%

First-principles studies on clean and oxygen-adsorbed Ir(110) surfaces

Kaghazchi

Jacob

2007

Phys. Rev. B

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Using density functional theory in combination with an ab initio atomistic thermodynamics approach the structure and stability of Ir͑110͒ surfaces in contact with an oxygen atmosphere have been studied. Besides the unreconstructed surface, ͑1 ϫ 2͒-, ͑1 ϫ 3͒-, and ͑1 ϫ 4͒-reconstructed Ir͑110͒ have been considered. We find that without adsorption of oxygen all reconstructed surfaces are more stable than Ir͑110͒-͑1 ϫ 1͒. Adsorption of oxygen with coverages higher than 0.5 ML removes the surface reconstruction, leading to either a c͑2 ϫ 2͒ or p͑2 ϫ 1͒ oxygen overlayer on the unreconstructed Ir͑110͒ surface and therefore an adsorbate-induced lifting of the reconstruction. While on almost all surfaces oxygen prefers binding at bridge positions to Ir atoms of the topmost layer, on the reconstructed surfaces higher coverages are required to additionally stabilize oxygen at adjacent threefold sites. Besides the stability of surface structures, our studies also reveal quantitative information on the geometry and energetics, providing further insights into the sometimes controversial discussion of oxygen adsorption on Ir͑110͒.

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“…This tendency is sketched in fig. 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.…”

Section: Discussionmentioning

confidence: 99%

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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Multilayer distortion in the reconstructed (110) surface of Au

Cited by 267 publications

References 34 publications

Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

First-principles studies on clean and oxygen-adsorbed Ir(110) surfaces

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

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