half have 8 carbon neighbors at
the same distance, the exafs signal will be that of 6 carbon neighbors.
Kind regards
Shelly
From: Ifeffit on behalf of Anatoly
Frenkel
Sent: Monday, April 24, 2023, 11:06 AM
To: XAFS Analysis using Ifeffit
Subject: Re
Joyti,
The coordination number of Rh-C bonds is defined as the total number of
Rh-C bonds in the sample divided by the total number of Rh atoms in the
sample.
Anatoly
---
Anatoly I. Frenkel
Professor
Department of Materials Science
Hello everyone,
I have a cluster of 13 Rh atoms above the graphene sheet. The first
coordination number that I am getting is around 1.65 (which is obtained by
choosing a Rh-C) path. I am curious to know whether this value is the
"exact" or the "average" coordination number w.r.t all the Rh atoms.
Hi Sameh
I would recommend you to search in this website: https://xafs.org/Databases
Best wishes
Ying LIU
223 G.O.Jones Building
Centre of Condensed Matter and Material Physics
Department of Physics and Astronomy
Queen Mary, University of London
327 Mile End Road, London, E1 4NS
United
Dear collegues
I need the XAFS or XANES spectra for some material to use them in my
analysis. Actually, I am not sure if there is a library for the XAFS
spectra for different compounds available free online !. In fact, I need
the spectra for the following elements and their oxides with different
Hello Pushkar,
I think the peak value of the first derivative and the zero value of the
second derivative does the same thing. My sec deriv is very noisy so it's
easy for my to pick the peak value of the 1st deriv instead.
I would suggest you to watch the video from Bruce which explained HOW TO
Respected Sir,
I am new in the field of EXAFS. I have few questions regarding
to IFEFFIT i.e., fitting of theoretical models to the experimental EXAFS
data.
1. *1*.What is the ideal value of R- factor for any fit.
2. *2. * Can we use (fit) the theoretical model
On Wednesday, March 13, 2013 08:24:41 PM davood dar wrote:
1. *1*.What is the ideal value of R- factor for any fit.
R-factor is a way of expressing percentage misfit. Smaller is
generally better, although smaller is not better if other aspects of
the fit are not defensible. For
Hello
I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in
room and high temperature(400 C). I have some questions about thermal vibration
in EXAFS fit. I read that third and fourth culmulants related with phase and
amplitude in anharmonic term, respectively.
message-
From: JeongEunSuk eunsuk1...@hotmail.com
To: ifeffit ifeffit@millenia.cars.aps.anl.gov
Sent: Mon, May 7, 2012 04:02:06 GMT+00:00
Subject: [Ifeffit] (no subject)
Hello
I measured temperature-dependent EXAFS at Pt L3 edge with Pt nanoparticles in
room and high temperature(400 C). I have
Hi all
I have a question for XANES of Zinc compounds.
It is known that the pre-edge for Zinc k-edge generally doesnt exist because 3d
state of Zinc atom is occupied.
However, I got it from ZnMgO with wurtzite structure. 4 oxygen in first shell
and 12 zinc in second shell are located around
Thank Anatoly.
Do you know J.penner-Hahn's e-mail or exact reference name?
I cant find his paper in search site.
Date: Tue, 19 Jan 2010 20:06:59 -0500
From: fren...@bnl.gov
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] (no subject)
There was a paper by J. Penner-Hahn et
in search site.
--
Date: Tue, 19 Jan 2010 20:06:59 -0500
From: fren...@bnl.gov
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] (no subject)
There was a paper by J. Penner-Hahn et al. studying ZnCl2 by EXAFS and
using it to demonstrate the quadrupole (1s
On Wednesday 11 March 2009 09:40:31 am Michael Jacob wrote:
I measured Fe(II) edge EXAFS data for my protein that has two iron sites
(Fe-Fe distance ~5A). My question is how to fit the model with the data?
Can I discard the contribution of multiple scattering effects to the
fitting? One most
...@millenia.cars.aps.anl.gov
To: ifeffit@millenia.cars.aps.anl.gov ifeffit@millenia.cars.aps.anl.gov
Sent: Wed Mar 11 09:40:31 2009
Subject: [Ifeffit] (no subject)
Hi all,
I measured Fe(II) edge EXAFS data for my protein that has two iron sites (Fe-Fe
distance ~5A). My question is how to fit
Can you please remove me from the d-list?
Thanks
Raja
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On Tuesday 27 November 2007 09:12:33 Bindu R. wrote:
could you tell me how does one tune the bond angles from the multiple
scattreing paths?
Hi Bindu,
I don't quite understand the question. Perhaps you can offer a few
more details about what you are trying to do Are you doing EXAFS
Hi Bindu:
I am presuming that you mean that you want to tune the bond angle of the
MS paths in your EXAFS fitting but, as Bruce notes, I might be wrong.
The bond angles for the multiple scattering paths are simply calculated
from the positions of the atoms around the central atom in the FEFF
could you tell me how does one tune the bond angles from the multiple
scattreing paths?
Bindu
Dr.Bindu R.
Visiting Scientist
DCMPMS
Tata Institute of Fundamental Research
Homi Bhabha Road
Colaba
Mumbai-400 005
India
Mobile-919892536830
-
Chat on a cool,
On Tuesday 27 November 2007 09:33:20 Carlo Segre wrote:
The bond angles for the multiple scattering paths are simply calculated
from the positions of the atoms around the central atom in the FEFF input
file. In the refinement process used by Ifeffit, the overall path length
is slightly
Hi Ruwn,
Using a different S02 for each path effectively means that you're
using a different coordination number for each path. In some cases,
that may be appropriate--for example, small nanoparticles with
unknown morphology. It should be noted, however, that S02 often
correlates highly with
On Thursday 15 February 2007 01:31, Ruwan Wijesundera wrote:
We have used Athena and Artemis software to analyses the EXAFS. When we do
the analysis, we used different S2o for each path for fitting of Cu2O data.
I succeeded to obtain good fitting by this way. Documents related to
percent EXAFS
Dear Bruce
We have used Athena and Artemis software to analyses the EXAFS. When we do
the analysis, we used different S2o for each path for fitting of Cu2O data.
I succeeded to obtain good fitting by this way. Documents related to percent
EXAFS analysis have been mentioned S2o is one value
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