[Ifeffit] FEFF10 simulation of Pt alloy

[Kelly, Shelly Diane]

Hello Harry:

I’m not sure how to help you with your specific question, but you might find this paper helpful.

High Energy Resolution Fluorescence Detection of the Pt L3, 2-Edge Whitelines of Pt-Based Bimetallic Systems: Implications for the Pt 5d5/2, 3/2 Density of States
Chen J, Finfrock Y, […] Sham T
The Journal of Physical Chemistry C (2021) 125(4) 2327-2333


Kind regards,
Shelly

From: Ifeffit <ifeffit-bounces at millenia.cars.aps.anl.gov> On Behalf Of Andy Zhang
Sent: Monday, January 16, 2023 5:44 AM
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: [Ifeffit] FEFF10 simulation of Pt alloy

Dear all,

I tried to use FEFF10 to simulate the XANES of Pt alloy (Pt L3 edge), and the simulation results fit the XANES collected using TFY mode. However, the white line intensity of the simulated XANES is much lower than the experiential spectra collected using HERFD mode.

I wonder if there is way to fit the HERFD XANES results through simulation (in other words, to increase the white line intensity of the simulated XANES).

Thanks a lot in advance!

Best,
Harry
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