December 2014 - Ifeffit - millenia.cars.aps.anl.gov

Re: [Ifeffit] A small query on constricting mean square displacement in multi-edge EXAFS refinement
by Badari Rao 04 Dec '14

04 Dec '14

Dear Scott, Thank you for the answer. Date: Wed, 3 Dec 2014 08:03:56 -0500 > From: Scott Calvin <scalvin(a)sarahlawrence.edu> > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Subject: Re: [Ifeffit] A small query on constricting mean square > displacement in multi-edge EXAFS refinement > Message-ID: <A7199A7A-EA1B-4396-960B-301A94F68648(a)slc.edu> > Content-Type: text/plain; charset="utf-8" > > Yes. > > The only minor adjustment I can think of to that is something called the > ?McMaster correction,? which adjusts for an oversimplification in the usual > EXAFS method of normalization, and thus can be different for the two edges. > But that correction is generally quite small, and the difference in it > between two edges is even smaller. > > ?Scott Calvin > Sarah Lawrence College > > > On Dec 3, 2014, at 7:54 AM, Badari Rao <badari.rao(a)gmail.com> wrote: > > > > Dear All, > > > > Suppose I have a compound, say AB. I have the EXAFS data from both > A-edge as well as B-edge and I am simultaneously refining these data. > > Would it be correct to force the mean square displacement of the A-B > path in both the edges to be the same? > > > > -- Regards, > > Badari Narayana. A. R. > > Ph.D Student, Nanoscience and Nanotechnology, > > c/o Prof Rajeev Ranjan, > > Electroceramics Lab, > > Department of Materials Engineering, > > Indian Institute of Science. > > > > _______________________________________________ > > Ifeffit mailing list > > Ifeffit(a)millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >

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Fit a mixture
by kaziz sameh 03 Dec '14

03 Dec '14

Dear All,I look for advice or document that can help me to fit the FT EXAFS data of Pd2Au36(SR)24.The situation is as follows:In the sample there is 3 sites of the Pd ( in staples, in surface or in the core). the spectrum that I have presents a first bond of Pd_S and second bond of Pd_Au, so the palladium should be in the staples or in the surface because in core we cannot see Pd-S, but other results of the same sample confirm that the palladium is in core.I concluded that there is a mixture of some nano (x ) with Pd in staple and another nano(y) with Pd in core such y>x.Note that I fit the data with Pd2Au36(SR)24 structure in which I put the 2 palladium in the staple and I have got a good fit (attached) but I think that is not logical.If you can help me with an idea how to fit this mixture, I would be very grateful.Kaziz.

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A small query on constricting mean square displacement in multi-edge EXAFS refinement
by Badari Rao 03 Dec '14

03 Dec '14

Dear All, Suppose I have a compound, say AB. I have the EXAFS data from both A-edge as well as B-edge and I am simultaneously refining these data. Would it be correct to force the mean square displacement of the A-B path in both the edges to be the same? -- Regards, Badari Narayana. A. R. Ph.D Student, Nanoscience and Nanotechnology, c/o Prof Rajeev Ranjan, Electroceramics Lab, Department of Materials Engineering, Indian Institute of Science.

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open position at KIT
by Lichtenberg, Henning (IKFT) 02 Dec '14

02 Dec '14

Dear XAS community, we have an open position in the field of EXAFS and operando spectroscopy in our group. For further information see the attached job description. Please feel to contact us also if you are interested in a beamline scientist position or x-ray microscopy. with best regards, Henning Lichtenberg

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