[Ifeffit] Gold Nanoparticle first shell fitting

Anatoly I Frenkel afrenke2 at yu.edu
Tue Oct 11 13:29:55 CDT 2011

Something is horribly wrong with the data here.

I overplotted your reference Au foil against mine, and yours has distorted XANES and too high EXAFS intensity compared to my data. Your amplitude factor is 1.54 which also confirms that something was wrong in the experiment. Perhaps - a misalignment? The NP data also look strange...

I would not focus on the NP analysis until you figure out why your foil data is so strange.


From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Kaiser, Julian [julian.kaiser at helmholtz-berlin.de]
Sent: Tuesday, October 11, 2011 1:06 PM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] Gold Nanoparticle first shell fitting

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.

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Geschäftsführer: Prof. Dr. Anke Rita Kaysser-Pyzalla, Dr. Ulrich Breuer

Sitz Berlin, AG Charlottenburg, 89 HRB 5583

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