Coordination numbers using Artemis and sixpack
Dear users, I ealized some XAS measurements regarding to supported gold catalysts as well as a standard sample on Au foil. 1. I like to a comparative analysis using Artemis and sispack. I have obtained some results using Artemis code. Unfortunately, for me is not so clear how to determine coordination numbers associated with each shells. I set dgen =1, I obtained S**2 values then I introduced S**2 in fist sample for fit step but I do not how to obtained values for different coordination shells. 2. Additionally, I like to use sixpack code. In this way I determined all steps up to |chi(r)| I tried to continue with make FEFF SS paths and FEFF exafs fitting. Unfortunately I could start the last steps. Are you so kind to indicate me how to do. Can you indicate me any tutorials or some examples to understand how to create SS paths and exafs fitting. Tanking you in advance Nick Aldea ******************************************************* * Dr. Nicolae L. Aldea * * National Institute for Research and Development * * for Isotopic and Molecular Technologies * * Donath Street 65-103, P. O. Box 700 * * 400293 Cluj-Napoca, Romania * * E-mail: naldea@itim-cj.ro * * Details: http://L30.itim-cj.ro/~naldea/index.htm * *******************************************************
Dear user, I do in this way: I measure the sample with known structure (known N values), from the fit I determine SO2 parameter. Then, with the same experimental conditions I measure the interesting me sample, and fit in the Artemis with fixed SO2 paremeter. Depends on the structure I keep N constant and add additional variable or directly fit N. The problem is with the structure. If you are sure with the structure model than fit should go well, but if you know nothing it is like a lottery. Additionally, Artemis counts also degeneracy of the path (the number of equal path), which depend on the symmetry. Of course all spectra are analysed with the same parameters using Athena. It is hard to say something more knowing only a little information about your sample, experiment. About Au were some discussions on the mailing list. best regards user W dniu 12-03-05 17:06, Nicolae L. Aldea pisze:
Dear users,
I ealized some XAS measurements regarding to supported gold catalysts as well as a standard sample on Au foil.
1. I like to a comparative analysis using Artemis and sispack. I have obtained some results using Artemis code. Unfortunately, for me is not so clear how to determine coordination numbers associated with each shells. I set dgen =1, I obtained S**2 values then I introduced S**2 in fist sample for fit step but I do not how to obtained values for different coordination shells. 2. Additionally, I like to use sixpack code. In this way I determined all steps up to |chi(r)| I tried to continue with make FEFF SS paths and FEFF exafs fitting. Unfortunately I could start the last steps. Are you so kind to indicate me how to do. Can you indicate me any tutorials or some examples to understand how to create SS paths and exafs fitting.
Tanking you in advance Nick Aldea
******************************************************* * Dr. Nicolae L. Aldea * * National Institute for Research and Development * * for Isotopic and Molecular Technologies * * Donath Street 65-103, P. O. Box 700 * * 400293 Cluj-Napoca, Romania * * E-mail: naldea@itim-cj.ro * * Details: http://L30.itim-cj.ro/~naldea/index.htm * *******************************************************
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participants (2)
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"Dr. Dariusz A. Zając" -
Nicolae L. Aldea