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X-ray total scattering investigation of Al0.57Sn0.43O1.71nanoparticles

Yavuz, Murat and Knapp, Michael and Indris, Sylvio and Hinterstein, Manuel and Donner, Wolfgang and Ehrenberg, Helmut (2015):
X-ray total scattering investigation of Al0.57Sn0.43O1.71nanoparticles.
In: Journal of Applied Crystallography, INT UNION CRYSTALLOGRAPHY, pp. 1699-1705, 48, (6), ISSN 1600-5767,
[Online-Edition: http://dx.doi.org/10.1107/S1600576715017203],
[Article]

Abstract

X-ray pair distribution function (PDF) analysis of Al0.57Sn0.43O1.71, a promising candidate as anode material for Li ion batteries, has been carried out using synchrotron radiation at 60 keV. The average and short-range ordering of nanocrystalline Al0.57Sn0.43O1.71 was investigated both with the traditional Rietveld refinement method and with X-ray PDF analysis. The instrumental parameters of the high-resolution powder diffraction beamline P02.1, Petra III, have been characterized. Reverse Monte Carlo (RMC) refinements based on PDF data indicate that Al substitution induces local distortions around the Al/Sn atoms and that oxygen vacancies, induced by the Al substitution, are mostly located on an anion site around the Al atoms. Additionally, RMC refinements hint at a clustering of Al atoms.

Item Type: Article
Erschienen: 2015
Creators: Yavuz, Murat and Knapp, Michael and Indris, Sylvio and Hinterstein, Manuel and Donner, Wolfgang and Ehrenberg, Helmut
Title: X-ray total scattering investigation of Al0.57Sn0.43O1.71nanoparticles
Language: English
Abstract:

X-ray pair distribution function (PDF) analysis of Al0.57Sn0.43O1.71, a promising candidate as anode material for Li ion batteries, has been carried out using synchrotron radiation at 60 keV. The average and short-range ordering of nanocrystalline Al0.57Sn0.43O1.71 was investigated both with the traditional Rietveld refinement method and with X-ray PDF analysis. The instrumental parameters of the high-resolution powder diffraction beamline P02.1, Petra III, have been characterized. Reverse Monte Carlo (RMC) refinements based on PDF data indicate that Al substitution induces local distortions around the Al/Sn atoms and that oxygen vacancies, induced by the Al substitution, are mostly located on an anion site around the Al atoms. Additionally, RMC refinements hint at a clustering of Al atoms.

Journal or Publication Title: Journal of Applied Crystallography
Volume: 48
Number: 6
Publisher: INT UNION CRYSTALLOGRAPHY
Uncontrolled Keywords: pair distribution function, reverse Monte Carlo, nanocrystalline Al0.57Sn0.43O1.71, Al substitution, Li ion batteries
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Structure Research
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 19 Jan 2016 11:43
Official URL: http://dx.doi.org/10.1107/S1600576715017203
Identification Number: doi:10.1107/S1600576715017203
Funders: Financial support from BMBF (grant No. 05K13VK1) is gratefully acknowledged.
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