Yavuz, Murat ; Knapp, Michael ; Indris, Sylvio ; Hinterstein, Manuel ; Donner, Wolfgang ; Ehrenberg, Helmut (2015)
X-ray total scattering investigation of Al0.57Sn0.43O1.71nanoparticles.
In: Journal of Applied Crystallography, 48 (6)
doi: 10.1107/S1600576715017203
Artikel, Bibliographie
Kurzbeschreibung (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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2015 |
| Autor(en): | Yavuz, Murat ; Knapp, Michael ; Indris, Sylvio ; Hinterstein, Manuel ; Donner, Wolfgang ; Ehrenberg, Helmut |
| Art des Eintrags: | Bibliographie |
| Titel: | X-ray total scattering investigation of Al0.57Sn0.43O1.71nanoparticles |
| Sprache: | Englisch |
| Publikationsjahr: | Dezember 2015 |
| Verlag: | INT UNION CRYSTALLOGRAPHY |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Journal of Applied Crystallography |
| Jahrgang/Volume einer Zeitschrift: | 48 |
| (Heft-)Nummer: | 6 |
| DOI: | 10.1107/S1600576715017203 |
| Kurzbeschreibung (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. |
| Freie Schlagworte: | pair distribution function, reverse Monte Carlo, nanocrystalline Al0.57Sn0.43O1.71, Al substitution, Li ion batteries |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Strukturforschung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 19 Jan 2016 11:43 |
| Letzte Änderung: | 19 Jan 2016 11:43 |
| PPN: | |
| Sponsoren: | Financial support from BMBF (grant No. 05K13VK1) is gratefully acknowledged. |
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