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Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography
Author(s) -
Birkbak Mie Elholm,
Nielsen Ida Gjerlevsen,
Frølich Simon,
Stock Stuart R.,
Kenesei Peter,
Almer Jonathan D.,
Birkedal Henrik
Publication year - 2017
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576716019543
Subject(s) - diffraction tomography , scattering , amorphous solid , diffraction , materials science , reciprocal lattice , tomography , optics , pair distribution function , nanocrystal , rietveld refinement , small angle x ray scattering , biological small angle scattering , crystallography , physics , nanotechnology , small angle neutron scattering , chemistry , neutron scattering , quantum mechanics
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.