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

Kleinle, Gerald; Wintterlin, Joost; Ertl, G.; Behm, R. Jürgen; Jona, F.; Moritz, Wolfgang

doi:10.1016/0039-6028(90)90435-b

Cited by 100 publications

(14 citation statements)

References 45 publications

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“…Adsorbate induced restructuring of the (111) crystal faces of platinum and rhodium are important for C-H bond activation [12,13]. Oxygen-induced reconstructions are driven on many surfaces, including (but not limited to) Pt (111) [14,15], Pt (110) [16,17], Pd (111) [18], Ni (110) [19,20], Cu (110) [21], Cu (111) [22], Fe(211) [23].…”

Section: Introductionmentioning

confidence: 99%

Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release

2010

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Density functional theory, informed by experimental studies, is used to investigate the interplay of surface morphology, the adsorption site of reactants, the nature of the interaction between adsorbates and the surface, the potential energy landscape for adsorbates on the surface, adsorbate coverage, temperature, and the dynamic evolution of these factors during adsorption and reaction. We summarize our current understanding of Au atom release on the (111) surface and the corresponding effects on adsorption and reactivity. Gold was selected for these investigations because of the recent intense interest in the activity of gold nanoparticles for several important catalytic reactions. Fundamental experimental studies on Au single-crystal surfaces have established that atomic O is extremely active for oxidation of CO and olefins, that the local bonding of O is an important factor in determining the reactivity and selectivity for oxidation, and that Au atom release is induced by electronegative adsorbates, such as O, Cl, and S. These experimental results guided our theoretical studies. Density functional theory is an extremely useful tool since it evaluates the energetics associated with the incorporation of gold into the adsorbate layer, while providing fundamental physical insight into the underlying cause of gold incorporation. We use our results from static DFT calculations along with ab initio molecular dynamics simulations to understand the effect of surface morphology on the activity of gold for CO oxidation. Our investigation of Au atom release and incorporation induced by electronegative atoms clearly illustrates the importance of using experiments in combination with theory to establish the importance of and the underlying reasons for metal atom release and the affect on bonding and reactivity.

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Section: Introductionmentioning

confidence: 99%

Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release

2010

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“…la) constitute a class of their own, since they exhibit a strong tendency for reconstructions of the missing row (MR) type [5]. By considering energetic as well as geometric aspects of the respective MR configurations, at least three different groups can be distinguished: (iii) Upon exposure to oxygen Ni(ll0) [50][51][52][53][54] and Cu(ll0) [55][56][57][58][59][60][61][62] undergo (2 × 1) MR-type reconstructions (Fig. lc); notice that in this case every other row perpendicular to the close packed rows is missing (i.e., along [001]), the oxygen atoms occupy positions close [63] to the long bridge sites.…”

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confidence: 99%

Reconstruction behaviour of fcc(110) transition metal surfaces and their vicinals

et al. 1992

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Abstract. The fcc(ll0) surfaces are well known for their strong tendency to missing-row (MR) type reconstructions either in the clean state (Au, Pt) or driven by adsorbates (Ni, Cu, Pd, Ag). The present knowledge on the different reconstruction behaviour of flat (110) surfaces is reviewed. The survey focuses on recent scanning tunneling microscopy (STM) studies, which for the first time also elucidate the dynamics of the reconstruction process for the various systems. An overview of our recent STM and low energy electron diffraction studies on vicinal Au(ll0) and Ni(110) surfaces is given, aiming for a deeper understanding of the influence of steps on reconstruction behaviour of fcc(110) surfaces on the one hand, and on the stability of reconstructing vicinal surfaces on the other. Finally, we report on the reconstruction behaviour of Ir(110), which stabilizes in the clean state by formation of mesoscopic (331) facets and dereconstructs to the (1 x 1) phase upon oxygen adsorption at 700-900 K.

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“…The TiO 2 rutile phase with the orientation of (002) is observed at the annealing temperature of as low as 700°C from the generation of oxygen vacancy by the replacement of Ti by Ni [14,20]. The intensity of rutile phase increases at 800°C and then decreases slightly at 900°C, because of the high replacement of Ti by Ni and partial destruction of Ti-O (bond length of 1.972 Å [22]) rutile phase [23] by the shorter Ni-O bond length of 1.77 Å [21]. The anatase phase disappears at 900°C from the complete transformation into the rutile phase.…”

Section: Resultsmentioning

confidence: 94%

High dielectric constant nickel-doped titanium oxide films prepared by liquid-phase deposition

Lee

Yen²,

Fan

2014

Appl. Phys. A

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The electrical characteristics of nickel-doped titanium oxide films prepared by liquid-phase deposition on p-type (100) silicon substrate were investigated. The aqueous solutions of ammonium hexafluorotitanate and boric acid were used as precursors for the growth of titanium oxide films and the dielectric constant is 29. The dielectric constant can be improved to 94 by nickel doping at the thermal annealing at 700°C in nitrous oxide.

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

Cited by 100 publications

References 45 publications

Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release

Insights from Theory on the Relationship Between Surface Reactivity and Gold Atom Release

Reconstruction behaviour of fcc(110) transition metal surfaces and their vicinals

High dielectric constant nickel-doped titanium oxide films prepared by liquid-phase deposition

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