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

Postdoctoral research opportunity in photocatalysis and x-ray spectroscopy
by Sokaras, Dimosthenis 06 Dec '20

06 Dec '20

Hello XAFS Community, We have a new postdoctoral research opportunity in the field of photocatalysis, aiming to study photocatalytic conversion of CO2 to liquid fuels. The selected candidate will be performing time-resolved and operando x-rays characterizations of photocatalytic materials in order to extract fundamental electronic-structure insights that can correlate and guide catalytic activity and photocatalysts material’s properties. An extensive part of the research will take place at LBNL/SLAC where the candidate will be developing and performing novel x-ray spectroscopy methodologies. Applicants interested in this opportunity may reach out to Junko Yano (LBNL, jyano(a)lbl.gov) and Dimosthenis Sokaras (SLAC, dsokaras(a)slac.stanford.edu) Thank you, Junko Yano and Dimosthenis Sokaras

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LARCH- XRF- fitting the spectrum
by Ana Mijo 04 Dec '20

04 Dec '20

Hello, I have images from GSECARS. I am trying to improve the background reduction by fitting the spectrum and getting new ROIs. I did a fit but I don’t manage to update the ROI’s. I tried saving to a .mca file and uploading again but I don’ t see a change. Since I come from other software I may have pre-concepts, maybe the first question is: can a new fit be done and get new (maybe cleaner) images? or Can I only work with the ROI’s from the experiment? If it can be done, how should I proceed after doing the fit to update ROI’s? I have emailed this question to Matt also (before finding this mailing list). Thanks in advance, Best regards, Ana Ana Mijovilovich Czech Republic ana_mijo(a)yahoo.com

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Pd nanoparticle K-edge XANES
by Eva Bajnoczi 30 Nov '20

30 Nov '20

Dear Mailing List Readers, I wonder if there is anyone who has and also would be willing to provide a K-edge XANES spectrum measured on Pd nanoparticles. Or to point me to a source where I can find one. Our particles most probably around 5nm, so this size-range would be ideal, but anything would be very much appreciated, as that would be a better reference than metallic Pd foil. We have got some interesting reviewer questions on a paper and to answer them a Pd nanoparticle XANES would be highly useful, but under the circumstances, it is not possible to measure it on our own in the forseeable future. Thank you for any kind of help in advance! Best regards, Eva Bajnoczi -- Bajnóczi Éva / Éva Bajnóczi tudományos munkatárs / research fellow Wigner Fizikai Kutatóközpont / Wigner Research Centre for Physics 1121 Budapest, Konkoly-Thege Miklós út 29-33. Magyarország / Hungary

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Workshop Opportunity for XAS users in the field of Biogeochemistry.
by Ritimukta Sarangi 24 Nov '20

24 Nov '20

Hello, Apologies for the mass email. SSRL, in conjunction with EMSL is organizing a Workshop titled "Spectroscopy and Modeling for Molecular Insights into Environmental Processes" on 26, Jan 2021. The main focus is to encourage and provide help in getting started with the use of theory and modeling (such as DFT and MD) in the interpretation of EXAFS/XAS data. Please find more information in the event flyer below: https://www.dropbox.com/s/vvshxqpji4yok2s/SSRL_EMSL_Workshop_Flyer.pdf?dl=0 We encourage interested users and research groups to register and attend the workshop. Looking forward to your participation. Best regards, Riti Sarangi SSRL

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Two phases EXAFS fitting-help
by Chen, Danting 10 Nov '20

10 Nov '20

Hi Mr/Ms, I have a sample and get a two major phases result by linear combination analysis, one dominate 59.5% of hydrozincite( and another is 33.5% zinc phosphate (. I would like to use Artemis to fit the k-space and the first shell of R-space. For R-space, my idea is to fit the first Zn-O shell since both dominate phases are both tetrahedral and octahedral coordination and the first shell is the similar environment. For k-space, shall I fit each phase with the sample individually and then sum the different weight of fitting curve together to see how it fit finally? If it is right, may I ask how exactly it fits? I have no idea how the weight is set in Artemis or it can only be summed half by half? Also, since my sample numbers are only two, I am unable to use PCA to fit. Except the above mentioned, is there anything else that I can do? Sorry, I am a new learner of XAS and have many things to learn. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10

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Re: [Ifeffit] Postdoctoral positions in MSEE EFRC at Brookhaven National Lab
by Gill, Simerjeet 09 Nov '20

09 Nov '20

Hello XAFS Community, On behalf of Energy Frontier Research Center on Molten Salts in Extreme Environments (MSEE) at Brookhaven National Laboratory (BNL), I would like to bring your attention to two postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments. The positions require a Ph.D. degree in chemistry, physics, materials science or a related field. The interdisciplinary research will focus on structural and spectroscopic investigation of molten salts, solutes in them, and liquid-solid interfaces. The positions are located in the BNL Nuclear Science and Technology Department (Job ID 2335) and Chemistry Department (Job ID 2341). Experiments will be performed at the National Synchrotron Light Source II (NSLS-II), BNL's new, state-of-the-art synchrotron, the BNL Chemistry Division and the BNL Center for Functional Nanomaterials. To find detailed descriptions of the position requirements and apply online, go to https://jobs.bnl.gov<https://jobs.bnl.gov/>. For Job ID 2335, hands-on experience in either X-ray scattering, spectroscopy and reflectivity is required. For Job ID 2341, demonstrated experience in electrochemical methods or working with molten salts is required. Experience with the chemical and physical properties of materials at high-temperature is highly desirable for both positions. If you have follow up questions, please don't hesitate to contact: Jim Wishart: wishart(a)bnl.gov<mailto:wishart@bnl.gov> or Simerjeet Gill: gills(a)bnl.gov<mailto:gills@bnl.gov>. For position 2335, postdoc will investigate molten salt systems using NSLS-II beamline facilities at Brookhaven National Laboratory, with primary technique being X-ray absorption fine structure. This position will be in Nuclear Science and Technology Department at Brookhaven National Lab, Under supervision of Dr. Simerjeet Gill. Responsibilities will include performing synchrotron experiments on molten salt systems with and without actinides and collaborating with other participants of MSEE-EFRC. For inquiries, please email me at gills(a)bnl.gov<mailto:gills@bnl.gov>. Thank you, Simerjeet K Gill, Group leader, Nuclear Science and Technology Department, Brookhaven National Lab, Upton, NY 11973

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Postdoctoral position in MSEE EFRC at Brookhaven National Lab
by Gill, Simerjeet 03 Nov '20

03 Nov '20

Hi, I would like to post below message regarding postdoc positions in MSEE EFRC at BNL, with attached flyer to XAFS community. Thanks, Simer Hello XAFS Community, On behalf of Energy Frontier Research Center on Molten Salts in Extreme Environments (MSEE) at Brookhaven National Laboratory (BNL), I would like to bring your attention to two postdoctoral Research Associate positions within the Energy Frontier Research Center (EFRC) on Molten Salts in Extreme Environments. Information about the positions is summarized in a flyer attached to this message. For position 2325, postdoc will investigate molten salt systems using NSLS-II beamline facilities at Brookhaven National Laboratory, with primary technique being X-ray absorption fine structure. This position will be in Nuclear Science and Technology Department at Brookhaven National Lab, Under supervision of Dr. Simerjeet Gill. Responsibilities will include performing synchrotron experiments on molten salt systems with and without actinides and collaborating with other participants of MSEE-EFRC. For inquiries, please email me at gills(a)bnl.gov<mailto:gills@bnl.gov>. Thank you, Simerjeet K Gill, Group leader, Nuclear Science and Technology Department, Brookhaven National Lab, Upton, NY 11973

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XAS question
by Chen, Danting 29 Oct '20

29 Oct '20

Hi Mr/Ms, I am a new learner of XAS and meet a problem like before and hope you can give me some hints. [cid:image001.png@01D6ADDA.9D016B40] [cid:image005.png@01D6ADDA.9D016B40] I have a data set after merged and alignment. But at 11-13 A-1, the amplitude of k is much higher than normal but there seems no weird points at XAS spectrum. I wonder how I could deal with this part? If I shorter kmax and it must lose some important information. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10

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Advanced XAS Workshop at CLS
by Gosia Korbas 27 Oct '20

27 Oct '20

Hi all, On behalf of the BioXAS team at the Canadian Light Source, I would like to invite you to participate in the virtual Advanced XAS Data Analysis and Modeling Workshop to be conducted in four half-day (8 AM to 1 PM, UTC-6, Saskatchewan Time) remote sessions through WebEX on November 10, 13, 20 and 24. The workshop is organized by the BioXAS-Spectroscopy senior scientist, Roman Chernikov. For more details and registration (free) please follow the link: https://bioxas-spectroscopy.lightsource.ca/advanced-spectroscopy-workshop-2… We hope to see you there! Gosia Korbas --------------------------------------------------------------------- Gosia Korbas, Ph.D. BioXAS-Imaging Senior Scientist BioXAS-Sector Responsible Canadian Light Source Phone: +1-306-657-3859 BioXAS-Imaging website<https://bioxas-imaging.lightsource.ca/> gosiakorbas.net<https://gosiakorbas.net/>

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Athena error on Linux mint
by Kyle Kluherz 27 Oct '20

27 Oct '20

I recently successfully installed the Demeter suite on my Linux Mint 19 machine. Last week, I updated to Linux Mint 20, and now I get the following error when trying to run athena from the command line: Can't locate Demeter/Here.pm in @INC (you may need to install the Demeter::Here module) (@INC contains: /etc/perl /usr/local/lib/x86_64-linux-gnu/perl/5.30.0 /usr/local/share/perl/5.30.0 /usr/lib/x86_64-linux-gnu/perl5/5.30 /usr/share/perl5 /usr/lib/x86_64-linux-gnu/perl/5.30 /usr/share/perl/5.30 /usr/local/lib/site_perl /usr/lib/x86_64-linux-gnu/perl-base) at /usr/local/bin/dathena line 7. BEGIN failed--compilation aborted at /usr/local/bin/dathena line 7. I was wondering if there was a relatively easy way to fix this, or if the best recourse is to simply reinstall Demeter? It took some fiddling to install initially, so I don't want to reinstall it unless that's the easiest way to fix the issue. Also, the mailing list link on the Demeter home page (http://cars9.uchicago.edu/mailman/listinfo/ifeffit/) times out. Fortunately I was able to get a working link (https://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit) from a friend. Sincerely, Kyle Kluherz -- Kyle (Tk) Kluherz Graduate Student Gamelin & De Yoreo groups Department of Chemistry, UW Materials Science Division, PNNL

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