[Ifeffit] Reported W L3-edge and L2-edge energy

[Bare, Simon R]

All:

We are wondering if others agree that the reported values for the W L3 and W L2 
edges are incorrect. We recently noticed the following:

The "Edge" - defined by the inflection point of the absorption edge step

When using the Ir L3 edge (11215.0 eV) as a calibration, the W L3- and L2-edges 
are 10203.4 eV and 11542.4 eV, respectively.

When using the Pt L3 edge (11564.0 eV) as a calibration, the W L3- and L2-edges 
are 10203.3 eV and 11542.4 eV, respectively.

These observations are thus different than the reported values of 10207.0 eV 
and 11544.0 eV for the L3 and L2 edges, respectively.

Thanks in advance for the discussion and feedback.


Simon R Bare
Distinguished Scientist
SSRL, MS69
SLAC National Accelerator Lab
2575 Sand Hill Road
Menlo Park CA 94025

simon.b...@slac.stanford.edu
Ph: 650-926-2629

[co_access_logo_text]

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[Ifeffit] XAFS.ORG WEBSITE??

[Bare, Simon R]

Talking of websites does anyone know what happened to the International XAFS 
website? I can't access it. And what is going on with this organization?
Thanks.

Simon

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[Ifeffit] Postdoctoral position at SSRL in XAS of catalysts

[Bare, Simon R]

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/Postdoc_Position_SSRL_Catalysis_Research_2019_2.pdf

Please send a letter with CV and list of publications, and names of two 
references, to the address below:

Simon R Bare, email: 
simon.b...@slac.stanford.edu

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[Ifeffit] Postdoc Opportunity in Catalysis Science at SSRL

[Bare, Simon R]

Please see the attached postdoctoral positon available now at SSRL.

It is also posted here:
https://careers.slac.stanford.edu/sites/careers.slac.stanford.edu/files/Postdoc_SSRL_Catalysis_Research_2018.pdf

Thanks!

Simon R Bare
Distinguished Staff Scientist
SSRL, MS69
SLAC National Accelerator Lab
2575 Sand Hill Road
Menlo Park CA 94025

simon.b...@slac.stanford.edu
Ph: 650-926-2629

[co_access_logo_text]




Postdoctoral Position at SSRL for Catalysis Research 2018.pdf
Description: Postdoctoral Position at SSRL for Catalysis Research 2018.pdf
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[Ifeffit] Postdoctoral position at SSRL, SLAC National Accelerator Lab

[Bare, Simon R]

SUNCAT Postdoctoral Position for Synchrotron X-ray Science

A postdoctoral research position is available at SUNCAT at SLAC National 
Accelerator Laboratory. The position is available immediately to work on a 
project developing and optimizing data processing techniques, and guiding 
students and postdocs through the analysis from synchrotron based x-ray 
techniques, primarily grazing incidence scattering and spectroscopy, to 
elucidate the composition and structure of catalysts (thin films and 
nanostructures) under working conditions.

The SUNCAT Center for Interface Science and Catalysis is a partnership between 
SLAC National Accelerator Laboratory and the School of Engineering at Stanford 
University. SLAC is a multi-program laboratory owned by the U.S. Department of 
Energy's Office of Science and operated by Stanford University. At SUNCAT, we 
focus on interface science and the atomic-scale design of catalysts for the 
sustainable production of fuels, chemicals, and materials. A key strength of 
the efforts at SUNCAT is the ability to link theory and experiment, which 
requires a detailed understanding of the electrocatalyst surface under reaction 
conditions. A focus is placed on probing the electronic, structural and 
chemical properties of electrocatalyst systems under operando conditions by 
using the unique X-ray facilities available at SSRL and other National 
Laboratories. The postdoctoral fellow will play an integral role in all aspects 
of these X-ray characterization efforts.



The position will report to Prof. Thomas F. Jaramillo (Stanford University) and 
Simon R Bare (SLAC National Accelerator Lab).



Specific responsibilities include:

Work with SSRL and SUNCAT scientists to conduct data processing and analysis. 
This will involve developing and optimizing data processing techniques, and 
guiding students and postdocs through the analysis.

Work with a team to plan and design synchrotron based experiments, including 
the design and modification of in situ electrochemical cell(s) and establishing 
measurement protocols.

Co-ordinate pre-experiment activities with colleagues (students and postdocs) 
and beamline scientists setup the beamline and conduct data collection for 
in-situ surface electrocatalysis and related experiments.

Interface with theoreticians at SUNCAT and Stanford to interpret the 
experimental results in terms of changes to the electronic and lattice 
structures of the surface of the active electrocatalyst under operando 
conditions.

The position is highly collaborative and will involve interacting with 
students, postdocs and staff scientists from SUNCAT on all aspects of the 
synchrotron-mediated research. The candidate will also maintain a safe working 
environment in the laboratory.



Qualifications:

* Ph.D. in physics, chemistry, materials sciences, chemical engineering, or 
related fields.

* Demonstrated experience in synchrotron X-ray characterization techniques, in 
particular hard x-ray scattering and spectroscopy.

* Proficiency in Python and/or Matlab, with a strong knowledge of data 
acquisition methodology.

* Familiarity with theoretical analysis of x-ray absorption spectroscopy 
(e.g.FEFF9, MXAN, DFT, etc) and/or knowledge of ab initio DFT methods a plus.

* Experience with electrochemical techniques and catalysis is a plus.

* Willingness to learn and bridge knowledge/experience gaps.

* Ability to work both independently and in a team environment.

* Ability to work and communicate effectively with a diverse population; good 
interpersonal skills are essential.

* Leadership, including the ability to coordinate efforts at SSRL, and to guide 
students and postdocs throughout all stages of the experiments.

* Effective written and verbal communication skills.


Applicants should include a cover letter, a brief summary of 
accomplishments/interests, a curriculum vitae, a list of publications, and 
names of 2-3 references for future letters of recommendation.

Please send applications to Olayinka Popoola at opopo...@stanford.edu.



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[Ifeffit] Postdoctoral Opportunity at SSRL

[Bare, Simon R]

All:

Please see the job posting for an immediate Postdoctoral Position at SSRL for 
in-situ Catalysis X-ray Absorption Spectroscopy

https://careers.slac.stanford.edu/sites/careers.slac.stanford.edu/files/Postdoctoral%20Position%20SSRL%20Catalysis%20Research.pdf

Postdoctoral Position at SSRL for in-situ Catalysis X-ray Absorption 
Spectroscopy The Stanford Synchrotron Radiation Lightsource (SSRL), a 
Directorate of the SLAC National Accelerator Laboratory, Stanford University, 
and a national research facility, seeks a Ph.D. Postdoctoral Scholar. This 2-3 
year postdoctoral position will involve using in-situ/in-operando 
synchrotron-based methods, primarily x-ray absorption spectroscopy, to study 
all aspects of catalysis. The candidate will join a new group at SSRL, under 
the guidance of Simon Bare, whose mission is to develop a world-class 
synchrotron catalyst characterization facility. The candidate will work on 
beamline setup and data collection at SSRL, perform in-situ XAS experiments, 
and analyze the XAFS data. The candidate will also give instruction on data 
analysis to graduate students. The candidate will interact with visiting and 
staff scientists from SUNCAT and other leading research groups, postdoctoral 
fellows, and students on all aspects of the synchrotron-mediated research; 
provide guidance to and foster the development of graduate and undergraduate 
students; publish experimental results in scientific journals and present 
results at scientific meetings; and maintain a safe working environment in the 
laboratory. Qualifications: * Ph.D. in physics, chemistry, materials sciences 
or related fields. * Experience with all aspects of synchrotron X-ray 
absorption spectroscopy is a must, including demonstrated ability in data 
analysis and modeling of XAFS data using Athena/Artemis. * Experience with 
synthesis, testing or characterization of catalysts, desired. * A solid 
background in materials/catalyst characterization and experience with in-situ 
cell design and development strongly preferred. * Willingness to learn and 
bridge knowledge/experience gaps. * Ability to work independently and in a team 
environment. * Ability to work and communicate effectively with a diverse 
population; good interpersonal skills are essential. * Effective written and 
verbal communication skills.
Please send a letter with CV and list of publications, and names of two 
references, to the address below:
Simon R Bare, email: simon.b...@slac.stanford.edu

Simon R Bare
Director Chemistry & Catalysis
SSRL, MS69
SLAC National Accelerator Lab
2575 Sand Hill Road
Menlo Park CA 94025

simon.b...@slac.stanford.edu
Ph: 650-926-2629

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Re: [Ifeffit] plotting

[Bare, Simon R]

Igor

Simon 


-Original Message-
From: ifeffit-boun...@millenia.cars.aps.anl.gov 
[mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Eva Vanamee
Sent: Tuesday, March 26, 2013 3:51 PM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] plotting

Thanks everyone for the helpful comments! I'll go with exporting to Origin.
A final question. I am now a Mac user, is there a good alternative to Origin?

Best,

- Eva

On Mar 26, 2013, at 2:45 PM, 
 wrote:

> Send Ifeffit mailing list submissions to
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> 
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of Ifeffit digest..."
> 
> 
> Today's Topics:
> 
>   1. generating high res figures (Eva Vanamee)
>   2. Re: generating high res figures (Scott Calvin)
>   3. Re: generating high res figures (Jason Gaudet)
>   4. Re: generating high res figures (Christopher Patridge)
>   5. Re: generating high res figures (Ravel, Bruce)
> 
> 
> --
> 
> Message: 1
> Date: Tue, 26 Mar 2013 13:13:17 -0400
> From: Eva Vanamee 
> To: ifeffit@millenia.cars.aps.anl.gov
> Subject: [Ifeffit] generating high res figures
> Message-ID: 
> Content-Type: text/plain; charset=us-ascii
> 
> Hi,
> 
> I'm in the happy stages of making figures. 
> I'd like to know how to change figure legends, make high resolution figures 
> from a fit, etc.
> 
> For instance:
> I saved the session file. Can I go back to a particular fit to make a figure 
> or do I need to rerun it?
> Can I change the figure legends? I used sample 1 and I want to give it a 
> different name
> Can I use special characters (e.g. Greek letters)?
> Can I adjust the resolution for different formats (talk vs. publication)?
> 
> I am running Demeter 0.9.9.9 under XP. 
> 
> Thanks in advance for the help!
> 
> - Eva
> 
> 
> 
> 
> --
> 
> Message: 2
> Date: Tue, 26 Mar 2013 13:25:01 -0400
> From: Scott Calvin 
> To: XAFS Analysis using Ifeffit 
> Subject: Re: [Ifeffit] generating high res figures
> Message-ID: 
> Content-Type: text/plain; charset="us-ascii"
> 
> Hi Eva,
> 
> Demeter is not intended to be used to produce publication-quality figures. 
> It's best to export the data, fits, etc., and then use a proper graphing 
> program to generate figures. Even a spreadsheet will do in a pinch, although 
> most of us use dedicated scientific graphing software.
> 
> --Scott Calvin
> Sarah Lawrence College
> 
> On Mar 26, 2013, at 1:13 PM, Eva Vanamee  wrote:
> 
>> Hi,
>> 
>> I'm in the happy stages of making figures. 
>> I'd like to know how to change figure legends, make high resolution figures 
>> from a fit, etc.
>> 
>> For instance:
>> I saved the session file. Can I go back to a particular fit to make a figure 
>> or do I need to rerun it?
>> Can I change the figure legends? I used sample 1 and I want to give it a 
>> different name
>> Can I use special characters (e.g. Greek letters)?
>> Can I adjust the resolution for different formats (talk vs. publication)?
>> 
>> I am running Demeter 0.9.9.9 under XP. 
>> 
>> Thanks in advance for the help!
>> 
>> - Eva
>> 
>> 
>> ___
>> Ifeffit mailing list
>> Ifeffit@millenia.cars.aps.anl.gov
>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> 
> 
> 
> 
> --
> 
> Message: 3
> Date: Tue, 26 Mar 2013 13:51:36 -0400
> From: Jason Gaudet 
> To: XAFS Analysis using Ifeffit 
> Subject: Re: [Ifeffit] generating high res figures
> Message-ID:
>   
> Content-Type: text/plain; charset="iso-8859-1"
> 
> And to do this, use the Artemis Plot dialog box to generate the chart you
> want (e.g. the data and fit in magnitude R-space), click the "Save Next
> Plot to File" button at the very bottom of the dialog box, and click the
> correct plot button at the top (e.g. R). This lets you save the plot as an
> ASCII file.
> 
> -Jason
> 
> On Tue, Mar 26, 2013 at 1:25 PM, Scott Calvin 
> wrote:
> 
>> Hi Eva,
>> 
>> Demeter is not intended to be used to produce publication-quality figures.
>> It's best to export the data, fits, etc., and then use a proper graphing
>> program to generate figures. Even a spreadsheet will do in a pinch,
>> although most of us use dedicated scientific graphing software.
>> 
>> --Scott Calvin
>> Sarah Lawrence College
>> 
>> On Mar 26, 2013, at 1:13 PM, Eva Vanamee  wrote:
>> 
>>> Hi,
>>> 
>>> I'm in the happy stages of making figures.
>>> I'd like to know how to change figure legends, make high resolution
>> figures from a fit, etc.
>>> 
>>> For instance:
>>> I saved the sessi

Re: [Ifeffit] white line intensity v. edge position in determining oxidation state of Re

[Bare, Simon R]

Edward:

For rhenium the examples published in the literature use the first
inflection point to define the oxidation state. Indeed for a set of
rhenium oxides of formal oxidation state 4, 6 and 7 there is close to a
linear relationship of formal oxidation state with edge position. We
have collected such data several times.

Regarding your other point about the white line intensity of rhenium
nanoparticles, this has been the subject of some recent research of
ours. We are close to submitting a manuscript where we discuss this
point for rhenium supported on alumina. We also observe the same
phenomena that you describe: even though the rhenium is formally
reduced, the white line intensity is substantially more intense that the
equivalent metal reference. Until this manuscript is ready I refer you
to an older publication: J. Phys. Chem. 95 (1991) 225-234 by Fung et al.
where they also note the same.
We have also done some FEFF8 XANES calculations of small Re clusters and
there is a clear trend of increasing white line intensity with
decreasing cluster size.

I would be willing to share our rhenium reference spectra if you contact
me directly.


Simon R. Bare
 
Senior R&D Associate
UOP LLC
25 East Algonquin Road
Des Plaines, IL 60017-5017
Phone - 847.391.3171
Cell - 630.842.6890
Fax - 847.391.3719
[EMAIL PROTECTED]
www.uop.com
 
 
 

-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Edward
L. Kunkes
Sent: Thursday, May 17, 2007 10:29 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] white line intensity v. edge position in determining
oxidation state of Re

Hi everyone,


 I am trying to determine the oxidation state of Re in PtRe
nanoparticles catalysts supported on carbon.
The ReLIII edge was measured before and after an in-situ reduction in
hydrogen.
Can anyone suggest Which characteristic of the edge is more related to
oxidation state ? Is it the 
integrated white-line intensity or the position of the edge(point of
maximum derivative). The edge 
position of the ReLIII edge of my particles is the same as that of Re
foil, however the
white line instensity is significanty higher. For the non-reduced PtRe
particles, the edge position is
similar to that of ReO2 (with a larger white line intensity). 


 Also, does anyone have any Data on Re-foil, HReO4 and ReO2 so that i
can compare it to the data
i measured for my standards ?


 Thank you very much for your help


-Edward Kunkes 
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[Ifeffit] Potential Postdoctoral Position in XAFS

[Bare, Simon R]

POSTDOCTORAL POSITION in XAFS and XRD
UOP LLC

There is a potential opening for a postdoctoral position in synchrotron
radiation research of catalysts and adsorbents with UOP LLC. The
successful candidate with work with UOP LLC research scientists and will
support UOP LLC exploratory and fundamental industrial research
activities primarily at the Advanced Photon Source (APS) at Argonne
National Laboratory. UOP LLC, a Honeywell Company, located in northwest
suburban Chicago, is an international leader in technology, products,
and services for the petroleum processing and separation industries
(www.uop.com  ). The successful candidate will
participate in all aspects of experiments related to operating a
beamline, collecting, analyzing and interpreting the data. This position
requires expertise in techniques of XAFS (preferably with knowledge of
Athena/Artemis or Iffeffit software) and XRD, together with hands-on
experience with electronic control and measuring equipment and beamline
components. A CV with publications list, and the names and addresses of
two references, should be sent via e-mail to Dr. Simon Bare at:
[EMAIL PROTECTED]

 

 

 

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