The geometric and electronic structure of oxygen on a Re(100) surface investigated by LEED and ARUPS

Lenz, J.; Rech, P.; Christmann, K.; Neuber, M.; Zubrägel, Ch.; Schwarz, E.

doi:10.1016/0039-6028(92)91284-i

Cited by 15 publications

(12 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On Re͑1010͒ only very few experimental studies have been performed. [12][13][14][15] Davis and Rosenthal et al used low-energy electron diffraction ͑LEED͒ to investigate the surface morphology of clean Re͑1010͒. They found that the clean surface shows an unreconstructed structure exhibiting a ͑1 ϫ 1͒ periodicity, 12,13 which is in line with the behavior observed on ͑1010͒ surfaces of other 3d and 4d hcp metals.…”

Section: Introductionmentioning

confidence: 76%

“…Later, Lenz et al 15 could observe the formation of a ͑1 ϫ 3͒-2O structure for exposures higher than 4 L at p Ͻ 10 −13 atm. They additionally reported a variety of oxygen overlayers at lower exposures: ͑2 ϫ 3͒-O for 0.3 L, c͑2 ϫ 4͒-2O for 0.7 L, ͑1 ϫ 5͒-2O for 3.2 L, and ͑1 ϫ 4͒-2O for an exposure of 3.7 L. These overlayers were prepared by annealing the O / Re͑1010͒ system to 520 K Ͻ T Ͻ 650 K. In contrast to the observations by Zehner et al, they did not find evidence for the formation of facets.…”

Section: Introductionmentioning

confidence: 94%

“…While the former periodicity has been observed on several 5d fcc͑110͒ metals, 31-37 the ͑1 ϫ 3͒ structures were motivated by the experimental observations. 14, 15 The following Re͑1010͒-͑1 ϫ 3͒ reconstructions have been studied ͓Figs. 1͑d͒-1͑f͔͒:…”

Section: B Clean Re Surfacesmentioning

confidence: 99%

See 2 more Smart Citations

Oxygen-induced reconstruction ofRe(101¯0)studied by density functional theory

Kaghazchi

Jacob

2010

Phys. Rev. B

View full text Add to dashboard Cite

Using density functional theory in combination with the ab initio atomistic thermodynamics approach, we studied the structure and stability of Re͑1010͒ surfaces in contact with an oxygen atmosphere. The calculations indicate that without adsorption of oxygen, the surface is unreconstructed, but adsorption of more than 2 geometrical monolayers causes a ͑1 ϫ 3͒ reconstruction, resembling a surface being composed of ͕1011͖ microfacets. This structure is able to rationalize the different experimental observations obtained on Re͑1010͒ and will be of relevance for catalytic reactions under oxygen-rich conditions. In this work, density functional theory is used in conjunction with the ab initio atomistic thermodynamics approach 17-20 to evaluate the ͑p , T͒-dependent surface free energies from first principles. A. DFT calculationsDFT energies for different oxygen overlayers on the surfaces were evaluated using the CASTEP code 21 with Vanderbilt-type ultrasoft pseudopotentials ͑PPs͒ ͑Ref. 22͒

show abstract

Section: Introductionmentioning

confidence: 76%

Section: Introductionmentioning

confidence: 94%

See 1 more Smart Citation

Oxygen-induced reconstruction ofRe(101¯0)studied by density functional theory

Kaghazchi

Jacob

2010

Phys. Rev. B

View full text Add to dashboard Cite

show abstract

“…[41] The host surface in question was the rhenium(10-10) surface, which provides the appropriate lattice parameters of the TiO 2 (011) surface within less than 5 % misfit. As a point of departure, the Re surface was intentionally covered with an oxygen (1 3)-2O structure (it is known from previous work by Lenz et al [82] that this phase is reconstructed and contains 0.67 ML oxygen atoms). The (1 3) oxygen phase generated prior to the Ti deposition is to provide a barrier layer for Ti diffusion to ensure that Ti does not alloy with Re, for this alloying is thermodynamically favoured under these conditions.…”

Section: (011)-oriented Rutile Thin Filmsmentioning

confidence: 99%

Model Studies on CO Oxidation Catalyst Systems: Titania and Gold Nanoparticles

et al. 2010

View full text Add to dashboard Cite

The peculiar catalytic activity of Au-supported titanium dioxide surfaces in the CO oxidation reaction has been a focus of interest for more than twenty years. Herein, recent data concerning preparation and structural characterisation of planar catalyst model systems consisting of single-crystalline titania and/or gold nanoparticles deposited thereon is presented and reviewed. We first expand on the deposition and growth of TiO(2) films on selected metal host surfaces and then consider the deposition of Au nanoparticles on these surfaces, including information on their geometric and electronic structures. The second issue is the interaction of these materials with carbon monoxide (one of the essential ingredients of the CO oxidation reaction) which serves as a probe molecule and monitor of the chemical activity of the model catalyst samples. Concerted efforts relating the structural and chemical properties of the respective binary materials (titania support plus deposited gold) can help to tackle and finally resolve the still open problems concerning the high activity of Au-TiO(2) catalysts in the CO oxidation reaction.

show abstract

“…After 2 min the saturation coverage of O on Re is achieved indicated by the appearance of a sharp (1 · 3) LEED pattern. Based on structural and energetic considerations Lenz et al [24] proposed an O-induced Re surface reconstruction, i.e. a non-primitive (1 · 3)-2O unit mesh containing two O atoms.…”

Section: Titanium Oxide Growthmentioning

confidence: 99%