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Iterative energy self-calibration of Fe XANES spectra

Jones, Michael W M; Mallmann, Guilherme; Wykes, Jeremy; Knafelc, Joseph; Bryan, Scott; Howard, Daryl

Description

Determining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for...[Show more]

dc.contributor.authorJones, Michael W M
dc.contributor.authorMallmann, Guilherme
dc.contributor.authorWykes, Jeremy
dc.contributor.authorKnafelc, Joseph
dc.contributor.authorBryan, Scott
dc.contributor.authorHoward, Daryl
dc.date.accessioned2020-12-07T23:10:03Z
dc.identifier.issn0909-0495
dc.identifier.urihttp://hdl.handle.net/1885/216743
dc.description.abstractDetermining the oxidation state of Fe through parameterization of X-ray absorption near-edge structure (XANES) spectral features is highly dependent on accurate and repeatable energy calibration between spectra. Small errors in energy calibration can lead to vastly different interpretations. While simultaneous measurement of a reference foil is often undertaken on X-ray spectroscopy beamlines, other beamlines measure XANES spectra without a reference foil and therefore lack a method for correcting energy drift. Here a method is proposed that combines two measures of Fe oxidation state taken from different parts of the spectrum to iteratively correct for an unknown energy offset between spectra, showing successful iterative self-calibration not only during individual beam time but also across different beamlines.
dc.description.sponsorshipGM acknowledges support from the Australian Research Council (DE160100169).
dc.format.mimetypeapplication/pdf
dc.language.isoen_AU
dc.publisherMunksgaard International Publishers
dc.rights© 2020 International Union of Crystallography
dc.sourceJournal of Synchrotron Radiation
dc.titleIterative energy self-calibration of Fe XANES spectra
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume27
dc.date.issued2020
local.identifier.absfor040203 - Isotope Geochemistry
local.identifier.ariespublicationu6269649xPUB401
local.publisher.urlhttp://scripts.iucr.org/
local.type.statusPublished Version
local.contributor.affiliationJones, Michael W M, Queensland University of Technology
local.contributor.affiliationMallmann, Guil, College of Science, ANU
local.contributor.affiliationWykes, Jeremy, ANSTO Australian Synchrotron
local.contributor.affiliationKnafelc, Joseph, Queensland University of Technology
local.contributor.affiliationBryan, Scott, Queensland University of Technology
local.contributor.affiliationHoward, Daryl, Australian Synchrotron
local.description.embargo2037-12-31
dc.relationhttp://purl.org/au-research/grants/arc/DE160100169
local.bibliographicCitation.startpage207
local.bibliographicCitation.lastpage211
local.identifier.doi10.1107/S1600577519014267
local.identifier.absseo970104 - Expanding Knowledge in the Earth Sciences
dc.date.updated2020-07-19T08:31:59Z
local.identifier.scopusID2-s2.0-85077172446
CollectionsANU Research Publications

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