Shelly Kelly's HomePage
Shelly Kelly received her PhD in physics from the University of Washington in 1999. Her graduate work focused on X-ray absorption spectroscopy of material under high pressure. She worked as a postdoc and physicist in the environmental research division of ANL for about 10 years. Her research focused on changes in metal speciation and valence state in environmental science. In 2008, Shelly worked as a consultant and recently as a Lead Scientist for UOP working on metal speciation in catalysts systems.
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<Shelly.D.Kelly@gmail.com> |
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Catalysis Research
Molecular Environmental Science
Collaboration with Professor Gemma Reguera at MSU (authorized access)
XAFS HowTo
My book chapter is a great place to start learning about XAFS. I am working on posting links to Athena/Artemis project files that are described in the chapter. Some of the data has been changed but the concepts are the same.
Kelly, S. D., Hesterberg, D. and Ravel, B. (2008). Analysis of soils and minerals using X-ray absorption spectroscopy. Methods of soil analysis, Part 5 -Mineralogical methods. Ulery, A. L. and Drees, L. R. Madison, WI, USA, Soil Science Society of America: 367-463.
In the following project files make sure you look at the project journal for hints on how to make the same figures shown in the chapter.
Figure 14-19: Choosing a reasonable pre-edge and post-edge lines Figure19.prj
Figure 14-20: Understanding Fourier transforms Figure20.prj
Figure 14-21: Understanding how two frequencies in one signal Fourier transform Figure21.prj
Figure 14-22: Different parts of a Fourier transform Figure22.prj
Figure 14-23: Relating Back Fourier transform to chi(k) data Figure23.prj
Figure 14-24: Fourier transform ripple affect Figure24.prj
Figure 14-25: K-dependence of the EXAFS signal. Figure25.prj
Figure 14-26: Choosing a maximum k value for Fourier transform. Figure26.prj
Figure 14-27: Signal content in a Fourier transform. Figure27.prj
Figure 14-28: How to determine the noise in chi(k) data. Figure28.prj
Figure 14-29: How to choose Rbkg, for determining the background function. Figure29.prj
Figure 14-30: How to choose minimum k value for Fourier transform. Figure30.prj
Figure 14-31: The affect of k-weight in removing the background.Figure31.prj
Figure 14-33 and 34: Athena project for background optimization Figure33.prj
Figure 14-33,34,35,36: Artemis project for how to use a theory to make background and model SnO2 Figure33-36.apj
Figure 14-37: Artemis project model for SnO2 Figure37.apj