[Ifeffit] [Ext] Question about EXAFS fitting of mixtures

Qingying Jia qjia at hawk.iit.edu
Mon May 15 20:14:13 CDT 2023


EXAFS fit will not tell apart. XANES analysis with or without LCA will.

On Mon, May 15, 2023 at 7:09 PM Soyoung Kim <soykim at lbl.gov> wrote:

> Dear all,
>
> While fitting EXAFS for tiny Pt nanoparticles, a simple question occurred
> to me. For these two scenarios:
> 1. All Pt atoms are coordinated to 3 O atoms and 3 Pt atoms each.
> 2. Half of the Pt atoms are coordinated to 6 O atoms and half to 6 Pt
> atoms.
>
> If we fit only single-scattering paths, would it be possible to tell apart
> these two scenarios with EXAFS fitting? What about linear combination
> analysis of the XANES?
>
> Thank you,
> Soyoung
>
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