Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography

Mie Elholm Birkbak, Ida Gjerlevsen Nielsen, Simon Frølich, Stuart R Stock, Peter Kenesei, Jonathan D. Almer, Henrik Birkedal*

*Corresponding author for this work

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Advanced functional materials often contain multiple phases which are (nano)crystalline and/or amorphous. The spatial distribution of these phases and their properties, including nanocrystallite size and shape, often drives material function yet is difficult to obtain with current experimental techniques. This article describes the use of diffraction scattering computed tomography, which maps wide-angle scattering information onto sample space, to address this challenge. The wide-angle scattering signal contains information on both (nano)crystalline and amorphous phases. Rietveld refinement of reconstructed diffraction patterns is employed to determine anisotropic nanocrystal shapes. The background signal from refinements is used to identify contributing amorphous phases through multivariate curve resolution. Thus it is demonstrated that reciprocal space analysis in combination with diffraction scattering computed tomography is a very powerful tool for the complete analysis of complex multiphase materials such as energy devices.

Original languageEnglish (US)
Pages (from-to)192-197
Number of pages6
JournalJournal of Applied Crystallography
Volume50
Issue number1
DOIs
StatePublished - Feb 1 2017

Fingerprint

Nanoparticles
Nanocrystals
Tomography
Diffraction
Scattering
Least-Squares Analysis
Crystalline materials
Equipment and Supplies
Rietveld refinement
Functional materials
Diffraction patterns
Spatial distribution

Keywords

  • Rietveld refinement
  • amorphous phases
  • diffraction scattering computed tomography
  • nanocrystals

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

Cite this

Birkbak, Mie Elholm ; Nielsen, Ida Gjerlevsen ; Frølich, Simon ; Stock, Stuart R ; Kenesei, Peter ; Almer, Jonathan D. ; Birkedal, Henrik. / Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography. In: Journal of Applied Crystallography. 2017 ; Vol. 50, No. 1. pp. 192-197.
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Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography. / Birkbak, Mie Elholm; Nielsen, Ida Gjerlevsen; Frølich, Simon; Stock, Stuart R; Kenesei, Peter; Almer, Jonathan D.; Birkedal, Henrik.

In: Journal of Applied Crystallography, Vol. 50, No. 1, 01.02.2017, p. 192-197.

Research output: Contribution to journalArticle

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AU - Birkbak, Mie Elholm

AU - Nielsen, Ida Gjerlevsen

AU - Frølich, Simon

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AU - Kenesei, Peter

AU - Almer, Jonathan D.

AU - Birkedal, Henrik

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