Orientation of benzene and pyridine on ZnO(101¯0)

Walsh, J.F.; Davis, R. F.; Muryn, Christopher A.; Thornton, G.; Dhanak, V.R.

doi:10.1103/physrevb.48.14749

Cited by 24 publications

(26 citation statements)

References 15 publications

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“…The NEXAFS results reveal a tilt angle of 71Ϯ5°between the surface and the ring plane of the molecule for the Zn-terminated surface, and 66Ϯ5°for the O-terminated surface. Similar binding geometries have been reported for pyridine adsorbed on the nonpolar ZnO͑10-10͒ surface 12 and for a number of metal surface with saturated pyridine adlayers. 4, 8,14 In principle, the interaction between the nitrogen lone pair and the active sites, the Zn ions, should lead to changes in the electronic structure.…”

Section: Discussionsupporting

confidence: 81%

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Pyridine adsorption on the polar ZnO(0001) surface: Zn termination versus O termination

Hövel

Kolczewski

Wühn

et al. 2000

The Journal of Chemical Physics

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The interaction of pyridine (C 5 H 5 N) with the two differently terminated ZnO͑0001͒ surfaces has been investigated using thermal desorption spectroscopy ͑TDS͒, x-ray photoelectron spectroscopy ͑XPS͒, and x-ray absorption spectroscopy ͑NEXAFS͒. The binding energy of pyridine on the O-terminated ZnO͑000-1͒ surface amounts to 57 kJ/mol and the spectroscopic data reveal only small modifications of the pyridine electronic structure, indicating the presence of a physisorbed species. On the Zn-terminated ZnO͑0001͒ surface, the binding energy is substantially higher, 112 kJ/mol, and the N1s NEXAFS data for the pyridine * resonance shows a shift of 0.6 eV toward higher binding energies. This observation indicates a substantial interaction between the nitrogen lone pair and Zn, as is confirmed by precise ab initio calculations of the core-level excitation.

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Section: Discussionsupporting

confidence: 81%

“…11,12 The ZnO samples were cut from a singlecrystal piece. The two opposite sides were orientated to within 0.5°of the ͑0001͒ plane and subsequently polished with 0.25 diamond paste.…”

Section: Methodsmentioning

confidence: 99%

Pyridine adsorption on the polar ZnO(0001) surface: Zn termination versus O termination

Hövel

Kolczewski

Wühn

et al. 2000

The Journal of Chemical Physics

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“…This indicates that the chemisorption reactivity is related to the Fe cations exposed on the Fe 3 O 4 (111) surfaces, whereas such sites are absent on the chemically inert FeO (111) Only a few investigations for benzene adsorbed on metal-oxide surfaces exist. Flat lying and a slighty tilted (≈10°) configurations were reported on the non-polar ( ) 1100 [325] and ( ) 1010 [334,335] surfaces of ZnO, respectively. Near parallel and tilted configurations were reported on the (100)-(1×1) and (100)-(1×3) surfaces of TiO 2 [336].…”

Section: Discussionmentioning

confidence: 99%

Surface chemistry and catalysis on well-defined epitaxial iron-oxide layers

Weiß

Ranke

2002

Progress in Surface Science

579

610

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Metal-oxide based catalysts are used for many important synthesis reactions in the chemical industry. A better understanding of the catalyst operation can be achieved by studying elemantary reaction steps on well-defined model catalyst systems. For the dehydrogenation of ethylbenzene to styrene in the presence of steam both unpromoted and potassium promoted iron-oxide catalysts are active. Here we review the work done over unpromoted single-crystalline FeO(111), Fe 3 O 4 (111) and α-Fe 2 O 3 (0001) films grown epitaxially on Pt(111) substrates. Their geometric and electronic surface structures were characterized by STM, LEED, electron microscopy and electron spectroscopic techniques. In an integrative approach, the interaction of water, ethylbenzene and styrene with these films was investigated mainly by thermal desorption and photoelectron emission spectroscopy. The adsorptiondesorption energetics and kinetics depend on the oxide surface terminations and are correlated to the electronic structures and acid-base properties of the corresponding oxide phases, which reveal insight into the nature of the active sites and into the catalytic function of semiconducting oxides in general. Catalytic studies, using a batch reactor arrangement at high gas pressures and post reaction surface analysis, showed that only α-Fe 2 O 3 (0001) containing surface defects is catalytically active, whereas Fe 3 O 4 (111) is always inactive. This can be related to the elementary adsorption and desorption properties observed in ultrahigh vacuum, which indicates that the surface chemical properties of the iron-oxide films do not change significantly across the "pressure-gap". A model is proposed according to which the active site involves a regular acidic surface sites and a defect site next to it. The results on metal-oxide surface chemistry also have implications for other fields, such as environmental science, biophysics and chemical sensors.-2 -"2kyEi9FYSQjBVrZxIPQ.FHIAC_WRa02_review.doc", Datum: 19.02.03

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“…The different possible terminations of zinc oxide substrates can be distinguished by studying the adsorption behavior of small molecules like CO [22] or pyridine (C 5 H 5 N) [14,31,32]. From previous work it is known that at substrate temperatures of 400 K no pyridine adsorption is observed independent of the surface termination of polar ZnO-surfaces.…”

Section: Xps Measurementsmentioning

confidence: 99%