Absorption-edge resonances, core-hole screening, and orientation of chemisorbed molecules: CO, NO, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Ni(100)

Stöhr, J.; Jaeger, R.

doi:10.1103/physrevb.26.4111

Cited by 408 publications

(66 citation statements)

References 94 publications

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“…Detailed discussion on the chemical state corresponding to each ELNES profile observed above is not presented in this paper, but briefly the double-peak structure near the surface could be ascribed to N replacing the O site in TiO 2 , 7) whereas the distinct peak around 401 eV of deeper regions would originate from N-O and/or N-N bond formation 15 due to the higher nitrogen concentration. A similar sharp peak at 401 eV dominates over the entire implanted regions in the sample implanted at the fluence of 5 Â 10 21 m À2 , followed by heat-treated at 573 K (not visible-light responsive), as shown in Fig.…”

Section: Dreels Of Nmentioning

confidence: 99%

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Depth-Resolved EELS and Chemical State Mapping of N+-Implanted TiO2 Photocatalyst

2007

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We propose novel methods of depth-resolved EELS (DREELS) and chemical state mapping, and the techniques were applied to the crosssectional TEM (XTEM) sample of N þ implanted TiO 2 catalyst. DREELS is realized by applying the Pixon deconvolution to a conventional energy-filtering TEM (EFTEM)-based spatially resolved EELS (EFTEM-SREELS), demonstrated by Kimoto et al. [J. Electron Microsc. 46 (1997) 369-374.]. And a self-modeling curve resolution (SMCR) technique in multivariate analysis enabled chemical state mapping from EFTEM-based spectrum imaging (EFTEM-SI) data sets. The methods successfully extracted the depth dependence of the N-K ELNES and separately displayed the spatial distributions of the constituent chemical states, whose spectral features were overlapped.

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Section: Dreels Of Nmentioning

confidence: 99%

“…It is not yet clear why the single peak component shows the bimodal distribution, but presumably because the NO x and/or N 2 gas molecules are formed 15) and escaped away when the N concentration exceeds a certain value.…”

Section: Mapping Depth Distributions Of Different Chemicalmentioning

confidence: 99%

Depth-Resolved EELS and Chemical State Mapping of N+-Implanted TiO2 Photocatalyst

2007

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“…In particular, the  * resonance has its maximum intensity at normal incidence (E-vector parallel to the surface and thus perpendicular to the molecular axis), while this incidence geometry leads to minimisation of the intensity of the  * resonance. These qualitative arguments can be made more quantitative by exploiting the well-known and simple formulae describing the polarisation-angle dependence of the two types of final state resonance [17,18]. To do so one must extract the relative intensities of the resonance peaks by fitting the individual NEXAFS spectra to a step, representing the edge-jump in the atomic photoionisation cross-section, and a consistent set of peaks representing the various distinct final states.…”

Section: Comentioning

confidence: 99%

A structural study of a C3H3 species coadsorbed with CO on Pd(111)

et al. 2008

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The combination of chemical-state-specific C 1s scanned-energy mode photoelectron diffraction (PhD) and O K-edge near-edge X-ray absorption fine structure (NEXAFS) has been used to determine the local adsorption geometry of the coadsorbed C 3 H 3 and CO species formed on Pd(111) by dissociation of molecular furan. CO is found to adopt the same geometry as in the Pd(111)c(4x2)-CO phase, occupying the two inequivalent threefold coordinated hollow sites with the C-O axis perpendicular to the surface. C 3 H 3 is found to lie with its molecular plane almost parallel to the surface, most probably with the two 'outer' C atoms in equivalent off-atop sites, although the PhD analysis formally fails to distinguish between two distinct local adsorption sites.

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“…This orientational information can be rendered more quantitative by exploiting the wellknown and simple formulae describing the polarisation-angle dependence of the two types of final state resonance [19,20], but in order to do so one must extract the relative intensities of the resonance peaks from the NEXAFS data. This involves fitting the individual spectra to a step representing the edge-jump in the atomic photoionisation cross-section, together with a consistent set of peaks representing the various distinct final states.…”

Section: Nexafsmentioning

confidence: 99%

The adsorption structure of furan on Pd(111)

et al. 2008

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The structure of molecular furan, C 4 H 4 O, on Pd(111) has been investigated by O K-edge near-edge X-ray absorption fine structure (NEXAFS) and C 1s scanned-energy mode photoelectron diffraction (PhD). NEXAFS shows the molecule to be adsorbed with the molecular plane close to parallel to the surface, a conclusion confirmed by the PhD analysis. Chemical-state specific C 1s PhD data were obtained for the two inequivalent C atoms in the furan, the α-C atoms adjacent to the O atom, and the β-C atoms bonded only to C atoms, but only the PhD modulations for the α-C emitters were of sufficiently large amplitude for detailed evaluation using multiple scattering calculations. This analysis shows the α-C atoms to be located approximately 0.6 Å off-atop surface Pd atoms with an associated C-Pd bondlength of 2.13±0.03 Å. Two alternative local geometries consistent with the data place the O atom in off-atop or near-hollow locations, and for each of these local structures there are two equally-possible registries relative to the fcc and hcp hollow sites. The results are in good agreement with earlier density functional theory calculations which indicate that the fcc and hcp registries are equally probable, but the PhD results fail to distinguish the two distinct local bonding geometries.

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Absorption-edge resonances, core-hole screening, and orientation of chemisorbed molecules: CO, NO, andN2on Ni(100)

Cited by 408 publications

References 94 publications

Depth-Resolved EELS and Chemical State Mapping of N<SUP>+</SUP>-Implanted TiO<SUB>2</SUB> Photocatalyst

Depth-Resolved EELS and Chemical State Mapping of N<SUP>+</SUP>-Implanted TiO<SUB>2</SUB> Photocatalyst

A structural study of a C3H3 species coadsorbed with CO on Pd(111)

The adsorption structure of furan on Pd(111)

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