March 2022 - Ifeffit - millenia.cars.aps.anl.gov

Question related to save fitting results in Larch
by Andy Zhang 25 Mar '22

25 Mar '22

Dear Sir/Madam, I have a question related to saving fitting results in Larch. I wonder if it is possible to save the project file with fitting results, just like the .fpj file in Artemis. In this way, I could save the partially finished work and do it later. Thanks a lot! Best, Harry

2 1

Open postdoc position in the APS Spectroscopy Group
by Sterbinsky, George E. 24 Mar '22

24 Mar '22

Hello all, The Advanced Photon Source Spectroscopy Group currently has an opening for a Postdoctoral Research Associate in the area of x-ray absorption spectroscopy. Interested candidates can view the full position description and apply at https://argonne.wd1.myworkdayjobs.com/Argonne_Careers/job/Argonne-National-…. Best, George George E. Sterbinsky, PhD X-ray Science Division Advanced Photon Source Argonne National Laboratory sterbinsky(a)anl.gov

1 0

Conduction band energy and deltae0
by Melike Babucci 13 Mar '22

13 Mar '22

Dear all, For a reliable comparison of two EXAFS data sets (lets say before and after Cu-doping), which parameters should be kept consant in the first model? I understand that sigma^2 values should be the same in two fittings, and I would see a change in coordination numbers and deltaE0 and deltar after Cu doping. Is that a good approach? Does the new deltaE0 indicate a change in the conduction band energy? Thanks in advance. Best regards, Melike N?r du har kontakt med oss p? Uppsala universitet med e-post s? inneb?r det att vi behandlar dina personuppgifter. F?r att l?sa mer om hur vi g?r det kan du l?sa h?r: http://www.uu.se/om-uu/dataskydd-personuppgifter/ E-mailing Uppsala University means that we will process your personal data. For more information on how this is performed, please read here: http://www.uu.se/en/about-uu/data-protection-policy

2 1

Open postdoc position at DESY XAFS beamline
by Edmund Welter 10 Mar '22

10 Mar '22

Dear colleagues, in case you are interested in a post doc position as beamline scientist at a XAFS beamline at DESY in Hamburg (a place with notoriously good weather!) please have a look at the following job offer: https://v22.desy.de/e67416/records155637/index_eng.html If you know of a colleague who might be interested please forward this mail to her/him. For any questions concerning the advertised position please do not hesitate to contact me via e-mail but please take care that you do not send your reply to the mail list. The job offer is open till we hired a suited candidate. Best regards, Edmund Welter

1 0

[ifeffit] Intensity difference in XANES
by Chen, Danting 07 Mar '22

07 Mar '22

Dear All, I have been studied Zn XANES and EXAFS for my environmental samples. Due to the unknow Zn speciation in my samples, called ‘A’, I do not have adequate Zn reference materials. I found some Zn reference materials from others work, called ‘B’, and extracted the data from their paper. I found quite similar features, e.g., the location of each peak and bottom. However, the intensity of these peaks or bottoms does not correspond very well. I am guessing that the features of XANES is mainly decided by the bond lengths, ligands and oxidation states of the core atom. The intensity of these features may be influenced by the multiple scattering from the neighbouring atoms beyond the first coordination. Can I conclude that the Zn speciation in my sample ‘A’ has a similar first coordination as other work ‘B’, but the coordination environment beyond the first coordination may be different. I compare their Fourier Transform ‘B’ with my samples ‘A’, and found each peak location correspond well but the intensity is different. I am guessing that their surrounding atoms are heavier than my samples. I am unsure if my explanation. Would you mind providing some suggestions regarding the factors influencing the intensity and also the references for this explanation? I will appreciate your help and many thanks. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows

3 2