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

Inversion Degree
by Carlos Triana Estupinan 06 Jul '19

06 Jul '19

Dear All Dear I have EXAFS spectra for spinel Co3O4, and I have to determine the inversion degree X, or the cation distribution of Co at the octaedral and tetraedrical sites. The EXAFS fitting can be performed employing two clusters of atoms, one having the absorbing atom in tetrahedral site and one having the absorbing atom in octahedral site. However, I do not know how to exactly determine the fraction of cations in octahedral or tetraedral sites from fitting the spectra with two sites independently. Could you please tell me how exactly should I proced, can I define a EXAFS fitting parameter giving me the cation distribution of Co at the octaedral and tetraedrical sites. If so, how can I do it. Thanks and best regards, -- *Carlos Augusto Triana Estupiñan* * M.Sc. Sciences - **Physics* *Physicist* * Tel: +57 322 256-2309*

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Postdoctoral position is available
by Anatoly Frenkel 03 Jul '19

03 Jul '19

Dear mailing list subscribers, There is an opening for a postdoctoral research associate position, described briefly below (for more details please contact me). A postdoc will investigate novel electromechanical materials using NSLS-II beamline facilities at Brookhaven National Laboratory, with primary technique being X-ray absorption fine structure. This position will be in Stony Brook University (located in close proximity to Brookhaven), under the supervision of Prof. Anatoly Frenkel. Responsibilities will include setting up new in situ operations for testing novel materials under applied electric field, developing and applying fast timing methods (such as modulation excitation spectroscopy), and collaborating with other participants of the NSF-BSF funded US-Israel collaboration. Annual trips to Israel for collaborative research will be required. Ph.D. in Physics, Chemistry or Materials Science, and strong knowledge of XAFS experiment, data analysis and modeling, documented in publications, are required. Three names of professional references are required with the applications that should include a cover letter describing relevant prior experience and interest in the position, and a CV with a list of publications. These materials should be emailed to anatoly.frenkel(a)stonybrook.edu with a subject line: XAFS postdoc position. ------------------------------------------------------------------- Anatoly I. Frenkel Professor Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 Email: anatoly.frenkel(a)stonybrook.edu <https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adziN6IvpdRQ-rWdgy3Oaoif_x-0yb…> http://you.stonybrook.edu/frenkel Joint Appointment: Chemistry Department, Brookhaven National Laboratory Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494 Email: frenkel(a)bnl.gov https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL http://you.stonybrook.edu/scc2 -------------------------------------------------------------------

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EXAFS from FEFF9 in ARTEMIS (ver 0.9.26)
by Manju 21 Jun '19

21 Jun '19

Hi I am analyzing my data in ARTEMIS (ver 0.9.26). I used the Rietveld refined parameters of XRD data into ATOMS interface and used that for path calculation. But the paths were not at same distances as indicated by .CIF file (in Vesta). I am having FEFF9 with me. So, I want to run EXAFS in FEFF9 and import the paths in ARTEMIS for fitting. Is it possible? Manju Junior Research Fellow Department of Basic and Applied Sciences Punjabi University, Patiala- 147 002 Punjab, India.

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Multiple species with Artemis
by Mukundan, Vineetha 17 Jun '19

17 Jun '19

Hi All, A couple of questions. I was searching the previous threads to check if someone here had posted/explained an example with mixing parameters to find the % content of different constituents present in a sample with Artemis. This is for shell-by-shell fitting. Can Artemis fit multiple chemical species/phases to the experimental spectra simultaneously? OR fit the samples spectra measured at 2 different edges with one or two phase simultaneously? Don't know if I searched far enough. Apology if it has been discussed. In that case, could anyone please direct me to those threads. Thanks you, Vineetha

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Re: [Ifeffit] Ifeffit Digest, Vol 196, Issue 1
by Mahima Makkar 17 Jun '19

17 Jun '19

Dear Sir, This mail is regarding the quotation that you have sent. Please change the address to Prof. Ranjani Viswanatha ICMS JNCASR, Jakkur PO 560064 Bangalore, INDIA. Mail id: rv(a)jncasr.ac.in Please refer the mail id as mentioned above and resend the quotation. Thanks and regards, Mahima On Thu, Jun 13, 2019 at 10:30 PM <ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Problem with Demeter installation on mac OS Mojave (Ga?lle Creff) > 2. Re: Problem with Demeter installation on mac OS Mojave > (Ravel, Bruce) > 3. Re: Problem with Demeter installation on mac OS Mojave > (Ga?lle Creff) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Wed, 12 Jun 2019 22:52:54 +0200 > From: Ga?lle Creff <gaelle.creff(a)unice.fr> > To: ifeffit(a)millenia.cars.aps.anl.gov > Subject: [Ifeffit] Problem with Demeter installation on mac OS Mojave > Message-ID: <D0FD0963-0C63-4B93-9E99-E56654370D21(a)unice.fr> > Content-Type: text/plain; charset="utf-8" > > Hi everyone, > I have some troubles with the installation of Demeter on my mac (under OS > Mojave since this week end). > Athena crashed after the following message: > "21:48:34: Name "Demeter::Templates::T" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > 21:48:34: Name "Demeter::Templates::F" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::DS" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::PT" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::S" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. > > 21:48:34: Name "Demeter::Templates::D" used only once: possible typo at > /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> > line 236. ? > > Artemis does not work either. > > Can someone help me? > > Thanks a lot. > Ga?lle > >

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Problem with Demeter installation on mac OS Mojave
by Gaëlle Creff 13 Jun '19

13 Jun '19

Hi everyone, I have some troubles with the installation of Demeter on my mac (under OS Mojave since this week end). Athena crashed after the following message: "21:48:34: Name "Demeter::Templates::T" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::F" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::DS" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::PT" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::S" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. 21:48:34: Name "Demeter::Templates::D" used only once: possible typo at /opt/local/lib/perl5/vendor_perl/5.28/Text/Template.pm line 572, <DATA> line 236. » Artemis does not work either. Can someone help me? Thanks a lot. Gaëlle

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Athena labels
by Stoll, Andreas (IAM) 24 May '19

24 May '19

Hi, Is it possible to change the x- and y-axes labels in the athena plots (energy against normalized xµE)? Greetings Andi

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Postdoctoral position at SSRL in XAS of catalysts
by Bare, Simon R 21 May '19

21 May '19

There is an opening for a postdoctoral research associate positon in the fall of 2019 at Stanford Synchrotron Radiation Lightsource (SSRL) at SLAC National Lab. This postdoctoral position will involve using in-situ/in-operando synchrotron-based methods, primarily X-ray absorption spectroscopy (XAS), to study all aspects of catalysis. The focus of the project will be in developing advanced methods in data processing, data analysis and data modeling. The candidate will join a group at SSRL, under the guidance of Dr. Simon Bare, though the Consortium for Operando and Advanced Catalyst Characterization via Electronic Spectroscopy and Structure (Co-ACCESS); https://www-ssrl.slac.stanford.edu/content/science/chemistry-catalysis. Full details at: https://careers.slac.stanford.edu/sites/careers.slac.stanford.edu/files/Pos… Please send a letter with CV and list of publications, and names of two references, to the address below: Simon R Bare, email: simon.bare(a)slac.stanford.edu<mailto:simon.bare@slac.stanford.edu>

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Two postdoctoral openings at SBU and BNL
by Anatoly Frenkel 20 May '19

20 May '19

Dear mailing list subscribers, There are two openings for postdoctoral research associate positions, described briefly below (for more details please contact me). Position 1: A postdoc will investigate novel electromechanical materials using NSLS-II beamline facilities at Brookhaven National Laboratory, with primary technique being X-ray absorption fine structure. This position will be in Stony Brook University (located in close proximity to Brookhaven), under the supervision of Prof. Anatoly Frenkel. Responsibilities will include setting up new in situ operations for testing novel materials under applied electric field, developing and applying fast timing methods (such as modulation excitation spectroscopy), and collaborating with other participants of the NSF-BSF funded US-Israel collaboration. Annual trips to Israel for collaborative research will be required. Ph.D. in Physics, Chemistry or Materials Science, and expert knowledge of XAFS experiment, data analysis and modeling, documented in publications, are required. Position 2: Catalysis Center for Chemical Innovations (CCEI), an Energy Frontier Research Center (EFRC) at the University of Delaware, is hiring a postdoctoral research associate to work with multiple teams of catalysis researchers of CCEI on XAFS projects. The postdoc will lead collaborative efforts by helping develop synchrotron-based projects, plan experiments, lead the visiting researchers in data collection, and work with CCEI groups on subsequent publications. This position will be supervised jointly by Profs. Anatoly Frenkel (Stony Brook U.) and Jingguang Chen (Columbia U.). The postdoc will be stationed at Brookhaven National Laboratory and travel several times a year to U. Delaware for collaborative meetings. The background is recent Ph.D. in Chemistry or Materials Science. Strong background in catalysis and XAFS measurements, data analysis and modeling are expected. Three names of professional references are required with the applications that should include a cover letter describing prior experience and interest in the position, and a CV with a list of publications. These materials should be emailed to anatoly.frenkel(a)stonybrook.edu with a subject line: XAFS postdoc position. ------------------------------------------------------------------- Anatoly I. Frenkel Professor Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 Email: anatoly.frenkel(a)stonybrook.edu <https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adziN6IvpdRQ-rWdgy3Oaoif_x-0yb…> http://you.stonybrook.edu/frenkel Joint Appointment: Chemistry Department, Brookhaven National Laboratory Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494 Email: frenkel(a)bnl.gov https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL http://you.stonybrook.edu/scc2 -------------------------------------------------------------------

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(no subject)
by Sameh Ibrahim Ahmed 20 May '19

20 May '19

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 oxidation states as well 1- Ni 2- Fe 3- Mo 4- V 5- Co 6- Mn Thank you in advance for your help. Best regards -- سامح إبراهيم أحمد أستاذ مساعد الفيزياء جامعة عين شمس Sameh Ibrahim Ahmed Associate professor of Physics Ain-Shams University Abbassia-11588 Cairo-EGYPT email: sameh(a)sci.asu.edu.eg & sameh2977(a)gmail.com

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