Unwarping GISAXS data

Liu, Jiliang; Yager, Kevin G.

doi:10.1107/s2052252518012058

Cited by 17 publications

(19 citation statements)

References 82 publications

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“…by 'unwarping' the four terms of the GISAS cross section (Liu & Yager, 2018). One possible approach to this problem consists of reducing the task of data analysis by advanced data reduction, e.g.…”

Section: Beyond Fittingmentioning

confidence: 99%

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BornAgain: software for simulating and fitting grazing-incidence small-angle scattering

et al. 2020

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BornAgain is a free and open-source multi-platform software framework for simulating and fitting X-ray and neutron reflectometry, off-specular scattering, and grazing-incidence small-angle scattering (GISAS). This paper concentrates on GISAS. Support for reflectometry and off-specular scattering has been added more recently, is still under intense development and will be described in a later publication. BornAgain supports neutron polarization and magnetic scattering. Users can define sample and instrument models through Python scripting. A large subset of the functionality is also available through a graphical user interface. This paper describes the software in terms of the realized nonfunctional and functional requirements. The web site https://www. bornagainproject.org/ provides further documentation.

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Section: Beyond Fittingmentioning

confidence: 99%

“…One possible approach to this problem consists of reducing the task of data analysis by advanced data reduction, e.g. by 'unwarping' the four terms of the GISAS cross section (Liu & Yager, 2018). This may be worth a re-implementation within BornAgain.…”

Section: Beyond Fittingmentioning

confidence: 99%

BornAgain: software for simulating and fitting grazing-incidence small-angle scattering

et al. 2020

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“…10) are not significantly affected by this approximation. Research into accurate unwarping of scattering images is ongoing (Liu & Yager, 2018).…”

Section: Usage Example For Scattering Intensity Normalizationmentioning

confidence: 99%

GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials

et al. 2020

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Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called GIWAXS-SIIRkit, where SIIR stands for scattering intensity, indexing and refraction. The package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.

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“…If the real component of the index of refraction () for the liquid is smaller than the real component of the index of refraction for the solid, as is typical for most water-solid interfaces at X-ray energies, the actual angle through which the X-rays are diffracted (2 B ) is smaller than the apparent diffraction angle (2 app ). This effect is well known in GIXRD, and corrections for this effect at vacuum-material interfaces (where the refractive index in a vacuum is defined to be one) have been developed (Toney & Brennan, 1989;Lim et al, 1987;Liu & Yager, 2018;Busch et al, 2006;Lee et al, 2005;Breiby et al, 2008). However, at liquid-solid interfaces, we must consider the value of the refractive index on both sides of the interface.…”

Section: Introductionmentioning

confidence: 97%

A refraction correction for buried interfaces applied to in situ grazing-incidence X-ray diffraction studies on Pd electrodes

Landers

Koshy

Lee

et al. 2021

J Synchrotron Radiat

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In situ characterization of electrochemical systems can provide deep insights into the structure of electrodes under applied potential. Grazing-incidence X-ray diffraction (GIXRD) is a particularly valuable tool owing to its ability to characterize the near-surface structure of electrodes through a layer of electrolyte, which is of paramount importance in surface-mediated processes such as catalysis and adsorption. Corrections for the refraction that occurs as an X-ray passes through an interface have been derived for a vacuum–material interface. In this work, a more general form of the refraction correction was developed which can be applied to buried interfaces, including liquid–solid interfaces. The correction is largest at incidence angles near the critical angle for the interface and decreases at angles larger and smaller than the critical angle. Effective optical constants are also introduced which can be used to calculate the critical angle for total external reflection at the interface. This correction is applied to GIXRD measurements of an aqueous electrolyte–Pd interface, demonstrating that the correction allows for the comparison of GIXRD measurements at multiple incidence angles. This work improves quantitative analysis of d-spacing values from GIXRD measurements of liquid–solid systems, facilitating the connection between electrochemical behavior and structure under in situ conditions.

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Unwarping GISAXS data

Cited by 17 publications

References 82 publications

BornAgain: software for simulating and fitting grazing-incidence small-angle scattering

BornAgain: software for simulating and fitting grazing-incidence small-angle scattering

GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials

A refraction correction for buried interfaces applied to in situ grazing-incidence X-ray diffraction studies on Pd electrodes

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