[Ifeffit] Gold Nanoparticle first shell fitting

Kaiser, Julian julian.kaiser at helmholtz-berlin.de
Tue Oct 11 12:06:29 CDT 2011

Dear Ifeffit Community,

I'm trying to fit a gold nanoparticle in the size of about 2 nm that is immobilized by polymers. For my research it's enought to fit the first shell only, becaues all I would like to analyze is the atomic distance in the nanoparticle. After the (hopefully) correct background substraction in Athena (athena file attached), there is a shoulder at approx. 2.1 Angström in the R-space.
In Artemis, fitting this shoulder seems not to be possible, while the fit for the reference (gold foil) seems to be fine. (both artemis files are attached to the e-mail).
If the k-range is decreased from 12.388 to a value between 9 an 10, the shoulder disappears and the fit works fine. But I think by this change I might modify the data too much.
Would be really nice, if sombody has an idea how to deal with the problem, to get a hint how to solve this.

Thanks a lot,


Helmholtz-Zentrum Berlin für Materialien und Energie GmbH

Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.

Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph
Geschäftsführer: Prof. Dr. Anke Rita Kaysser-Pyzalla, Dr. Ulrich Breuer

Sitz Berlin, AG Charlottenburg, 89 HRB 5583

Hahn-Meitner-Platz 1
D-14109 Berlin

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