Analysis of multiple-scattering XAFS data using theoretical standards

Newville, Matthew; Ravel, Bruce; Haskel, D.; Rehr, J. J.; Stern, Edward A.; Yacoby, Y.

doi:10.1016/0921-4526(94)00655-f

Cited by 764 publications

(580 citation statements)

References 3 publications

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“…Data were acquired using a total electron yield detector [7]. Data analysis was performed using the UWXAFS software package [8] with phase and amplitude functions obtained from FEW [9]. In addition to the samples prepared for this study, an Fe sample (ball milled 16 hr.…”

Section: Methodsmentioning

confidence: 99%

EXAFS Study of Ball-Milled Elemental Nanocrystalline Powders

Schilling

1997

J. Phys. IV France

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Nanocrystalline elemental powders of Cr, Fe, Ni, and Cu were prepared by high-energy ball milling and studied using EXAFS spectroscopy. Data were acquired in total electron yield to avoid thickness effects, and a detailed analysis was performed to obtain structural parameters. While significant amplitude reduction was observed in the EXAFS signals of the ball-milled powders, reduction in first neighbor coordination number based on curve-fitting was limited to ≤ 15%. The results are consistent with the presence of nanocrystalline structures and structural defects induced by the milling process

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Section: Methodsmentioning

confidence: 99%

EXAFS Study of Ball-Milled Elemental Nanocrystalline Powders

Schilling

1997

J. Phys. IV France

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“…We thank Wilfried Brusten, Filip Beutels, Annick Cluyts, Ellen Poelmans, Karlien Duyssens, Jef Daems, and Jo van Laer for (Newville, 1995) as described in the program documentation (Newville, 1998)). …”

Section: Acknowledgementsmentioning

confidence: 99%

Speciation of inorganic arsenic in particulate matter by combining HPLC/ICP-MS and XANES analyses

Tirez

Vanhoof

Peters

et al. 2015

J. Anal. At. Spectrom.

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Inorganic arsenic species in ambient particulate matter (PM 10 and PM 2.5 ) have been determined in an urban area, in the vicinity of a metallurgical industrial plant. The developed high performance liquid chromatography inductively coupled plasma mass spectrometry (HPLC/ICP-MS) method allows monitoring of particulate As(III) and As(V)-species, with a limit of quantification of 0.34 ng m À3 As(III) and 0.23 ng m À3 As(V), respectively. Good agreement was obtained between the sum of the concentrations of As(III) and As(V) determined by HPLC/ICP-MS and the total As concentrations determined by XRF, indicating a complete extraction of the As species. During the measuring campaigns for PM 10 and PM 2.5 , a significant conversion (oxidation) up to 54% of exogenous spiked As(III) was observed. The total amount of the spiked As(III) was well-recovered (PM 10 and PM 2.5 on average 108% and 101%, respectively). The extraction of the filter in combination with the sampled air matrix is likely to induce the As(III) conversion. The average measured As concentration in PM 10 during a 40-day monitoring campaign (30 ng m À3 ) at a hot spot location is above the European target value of 6 ng m À3 . The measured As concentration in PM 2.5 was half the value of the measured concentration in PM 10 and no relative enrichment of total As was observed in either particulate matter fractions. However, in PM 10 , As(V) was the main component, while in PM 2.5 , As(III) was the dominant species. During the monitoring campaign, the fraction of particulate As(III) varied between 19 and 61% in PM 10 and a trend towards a higher fraction of As(III) with increasing concentration of total As was observed. XANES and XRD analyses were used for the identification of arsenic species in local PM sources and confirmed the presence of Ca 3 Sr 2 (AsO 4 ) 2.5 (PO 4 ) 0.5 (OH), As 2 O 3 and As 2 O 5 species.

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“…Today's state-of-the art EXAFS data analysis allows one to obtain precise atomic-scale information on the particle nanostructure for the absorbing element of interest. 27 Finally, a differentially pumped transmission electron microscope has been developed that operates at pressures up to 20 mbar and temperatures up to 900 K. [28][29][30] This instrument can be used to image the shape and shape changes of supported nanoparticles under reaction conditions. In combination with spatially resolved electron energy-loss spectroscopy (EELS), the composition and oxidation state of the nanoparticles and the support can be studied (see the article by Gai et al in this issue).…”

Section: In This Issuementioning

confidence: 99%

NovelIn SituProbes for Nanocatalysis

Stierle¹,

Molenbroek²

2007

MRS Bull.

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During the past few years, substantial effort has been devoted to developing new experimental techniques capable of delivering atomic-scale information on surfaces and nanoparticles under catalytic reaction conditions. Since the advent of surface science, pioneering experiments under highly idealized conditions have been performed (at very low gas pressures, <10 −6 mbar), and idealized model material systems (e.g., single crystals) have been investigated. However, understanding chemical reactions on singlecrystal surfaces close to ultrahigh vacuum does not always enable prediction of the performance of nanoparticles operating at gas pressures near or above atmospheric pressure. Therefore, this MRS Bulletin issue focuses on the capabilities of atomic-scaleresolution, high-gas-pressure-and high-temperature-compatible in situ probes sensitive to the structure, chemical composition, and dynamical properties of nanomaterials. It will be demonstrated how novel in situ techniques enable one to bridge the combined pressure and materials gaps from ultrahigh vacuum to atmospheric pressures and from metal single-crystal surfaces to nanoparticles or oxides.bility, functionality, and long-term performance of metallic nanoparticles (e.g., nanomagnets for magnetic storage devices) in their working environment.Substantial effort has been devoted during the past few years to developing new experimental techniques capable of delivering atomic-scale information on surfaces and nanoparticles in situ under catalytic, industrially relevant reaction conditions. The development of such techniques is crucial, if one desires to tailor chemical reactions on nanoparticles for industrial applications, particularly catalytic reactions, and to increase the nanoparticle lifetime. In addition, these new techniques allow a direct, critical comparison with results from ab initio density functional theory (a novel approach that connects density functional theory results obtained at T = 0 K, p = 0 bar to applied conditions at elevated temperatures and pressures). 2 Results of kinetic Monte Carlo simulations, which simulate kinetic steady-state equilibrium situations during catalytic reactions, can also be compared directly. 3

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Analysis of multiple-scattering XAFS data using theoretical standards

Cited by 764 publications

References 3 publications

EXAFS Study of Ball-Milled Elemental Nanocrystalline Powders

EXAFS Study of Ball-Milled Elemental Nanocrystalline Powders

Speciation of inorganic arsenic in particulate matter by combining HPLC/ICP-MS and XANES analyses

NovelIn SituProbes for Nanocatalysis

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