Bibliography and database of inner shell excitation spectra of gas phase atoms and molecules

Hitchcock, Adam P.; Mancini, Derrick C.

doi:10.1016/0368-2048(94)87001-2

Cited by 193 publications

(108 citation statements)

References 29 publications

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“…Spectral alignment is based on comparison of simulated XAS of an isolated O 2 molecule (not shown) with gas phase experimental data measured by Hitchcock and Mancini. 65 One can see immediately that excellent agreement with measurements is obtained. Upon resonant xray excitation, we find that the core-hole modified DOS shows an excitonic-like enhancement of features at the near-edge.…”

Section: X-ray Absorption Simulations and Interpretationsupporting

confidence: 56%

“…For this work, we chose molecular gas phase O 2 , which exhibits a strong π * transition at 530.82 eV. 65 Our own simulation of the gas phase XAS of O 2 (not shown) agrees well with experiment and we determine a constant shift in energy to align the π * peak after already shifting the O 2 spectrum with respect to our theoretically defined atomic O. This same constant is applied to both Cu 2 O and CuO subsequent to their relative alignment to atomic O and the resulting aligned spectra are presented in Figure 2(a).…”

Section: Atomic Alignment Schemementioning

confidence: 99%

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Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy

Peng¹,

Prendergast²,

Borondics³

et al. 2013

The Journal of Chemical Physics

262

230

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The electronic structure of Cu(2)O and CuO thin films grown on Cu(110) was characterized by X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The various oxidation states, Cu(0), Cu(+), and Cu(2+), were unambiguously identified and characterized from their XPS and XAS spectra. We show that a clean and stoichiometric surface of CuO requires special environmental conditions to prevent loss of oxygen and contamination by background water. First-principles density functional theory XAS simulations of the oxygen K edge provide understanding of the core to valence transitions in Cu(+) and Cu(2+). A novel method to reference x-ray absorption energies based on the energies of isolated atoms is presented.

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Section: X-ray Absorption Simulations and Interpretationsupporting

confidence: 56%

Section: Atomic Alignment Schemementioning

confidence: 99%

Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy

Peng¹,

Prendergast²,

Borondics³

et al. 2013

The Journal of Chemical Physics

262

230

View full text Add to dashboard Cite

show abstract

“…Hence the presence of V 5+ prevents accumulation of carbon on the surface. This effect of reducing carbonaceous deposits by cofeeding oxygen has been observed over Pt/alumina catalysts [48]. In the case reported, oxygen had two purposes: to fill high energy adsorption sites, allowing products to desorb and to remove surface carbon, effectively cleaning the surface.…”

Section: N-butane Dehydrogenation On V Based Catalystsmentioning

confidence: 64%

The role of carbon species in heterogeneous catalytic processes: an in situ soft x-ray photoelectron spectroscopy study

Vass

Hävecker

Zafeiratos

et al. 2008

J. Phys.: Condens. Matter

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High pressure X-ray photoelectron spectroscopy (XPS) is used to characterize heterogeneous catalytic processes. The success of the new technique based on the possibility to correlate the catalytic activity and the electronic structure of an active surface. The dynamic character of a catalyst surface can be demonstrated impressively by this technique. In this contribution the basics of high pressure XPS will be discussed. Three examples of heterogeneous catalytic reactions are presented in this contribution. The selective hydrogenation of 1-pentyne over Pd based catalysts and the dehydrogenation of n-butane and the oxidation of ethylene over V based catalysts. It is shown, that the formation of subsurface carbons plays an important role in all the examples. The incorporated carbon changes the electronic structure of the surface and so controls the selectivity of the reaction. A change of the educts in the reaction atmosphere induces modifications of the electronic surface structure of the operation catalysts.

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“…To verify the nature of the carbonaceous species, the experimental spectra were evaluated using reference compounds. [13,14] All carbon K-edges resemble the spectra of amorphous carbonaceous compounds, implying the presence of polyaromatic species. For all spectra obtained near the crystal edge, the leading peak is more distinct and an additional shoulder at 287 eV is visible, which is indicative for the presence aliphatic species and/or alkyl groups.…”

Section: Resultsmentioning

confidence: 99%

Monitoring the Location, Amount, and Nature of Carbonaceous Deposits on Aged Zeolite Ferrierite Crystals by Using STEM‐EELS

Donk

Groot

Stéphan

et al. 2003

Chemistry A European J

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By the use of electron energyloss spectroscopy performed in a scanning transmission electron microscope (STEM-EELS), detailed spatial information is obtained concerning the amount and nature of carbonaceous deposits formed inside the crystals of the zeolite ferrierite (FER) during the reaction of n-butene to isobutene. In all cases, gradients in coke concentration over the crystal have been observed and quantified. An extensive accumulation of coke is observed at the entrance of the eight-membered-ring (MR) pores, while less coke is present at the entrances of the ten-MR channels. At a higher coke content, further filling up of the complete micropore system occurs and the eight-MR pores become fully blocked. The ten-MR channels remain partially accessible for n-butene, with alkyl-aromatic species deposited near the inlets of these channels. With regard to the selective transformation of nbutene into isobutene, this supports the view that the catalytic action takes place in the pore mouths of the ten-MR channels. Overall it is demonstrated that the major benefit of STEM-EELS is the possibility to simultaneously determine the position-resolved amount and nature of carbonaceous deposits on intact zeolite crystals.

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Bibliography and database of inner shell excitation spectra of gas phase atoms and molecules

Cited by 193 publications

References 29 publications

Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy

Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy

The role of carbon species in heterogeneous catalytic processes: an in situ soft x-ray photoelectron spectroscopy study

Monitoring the Location, Amount, and Nature of Carbonaceous Deposits on Aged Zeolite Ferrierite Crystals by Using STEM‐EELS

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