Hi Tian,

What leads you to believe you'd be able to see C or O contributions to the EXAFS in your sample?  CO probing of a catalyst during XAS measurements is a pretty common experiment (although CO is often not a good probe molecule for Cu...) but I'm having difficulty coming up with an example where the CO itself was directly observed in EXAFS.  Sulfur, sure, but CO?  If your Cu was monodisperse I suppose it would be less of a stretch to try, but if you're talking about a Cu surface and expecting to separate Cu-C and Cu-Cu contributions I'd be worried you may be far overestimating the capabilities of your experiment.

If you have a cite that suggests this is feasible, it'd be news to me and I'd be happy to read it.

-Jason

On Wed, Sep 5, 2012 at 8:47 AM, Zhaomo Tian <zhaomo1989@postech.ac.kr> wrote:
Dear All!

I am a beginner in this field and I have a difficulty in writing feff.inp file for my system.

My system is CO gas adsorbed on metal (such as copper)surface and the experiment data will be taken on Cu k edge, since it is not crystalline structure, I may need to write my own feff.inp file instead of getting it from atoms.inp file. Is there anyone who knows how to create a structure for my system and how to calculate atomic coordinates of so many atoms?Or a simple structure includes only 4 atoms(2 Cu,1 C and 1 O is enough?) Then I am asking help for generating feff.inp file(especially all necessary atomic coordinates) for Cu-CO. If someone knows it, would you please give me a hand?

Thanks a million

Best Regards,

 

Tian Zhaomo

M.S. candidate

 

 

Lab. For Photosynthesis Materials and Devices

Department of Materials Science and Engineeing,POSTECH

san 31, Hyoja-Dong, Nam-Gu,
Pohang, 790-784, Republic of Korea

 

office: +82-54-279-2827

mobile: +82-10-7747-3790

e-mail: zhaomo1989@postech.ac.kr

 


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