October 10-12, 2023#
++
+
Download all slide decks and other course materials:
+October2023.zip
+
X-ray absorption spectroscopy is a core technique of the DOE +synchrotron user facilities and attracts diverse scientific +communities. This 3-day course offered by NSLS-II experts introduced +XAS data analysis to new and prospective users and provide an +opportunity to perform real experiments at NSLS-II XAS beamlines. The +first two days were devoted to the fundamentals of XAS analysis, data +reduction and processing, and the basics of XAS experiments and +instrumentation.
+Participants were trained on XAS data analysis of increasing +complexity. Modern XAS methods such as high-resolution spectroscopy +were be introduced. On the third day, the participants participated in +the experiments at XAS beamlines and analyzed the data they collected.
+ +This course was organized and presented by Lu Ma, Bruce Ravel, and Eli +Stavitski with additional lectures by Denis Leshchev and Akhil Tayal. +We are grateful to Mercy Baez and Mariah Barget for logistical support.
+ +Tuesday, October 10#
+-
+
- Introduction to XAS: +
Overview of the basic physics and chemistry of XAS
+-
+
Presenter: Bruce Ravel
+Slide deck:
XAS2023_Intro.pdf
+
+++
+- Data reduction and background removal: +
An introduction to processing XAS data, including background +subtraction and Fourier transforms
+-
+
Presenter: Akhil Tayal
+Slide deck:
XAFS_Normalization.pdf
+
+++
+- EXAFS analysis I: +
An introductory EXAFS data analysis problem using FeS2. This is the introduction to fitting EXAFS data analysis +with Feff and Artemis
+-
+
Presenter: Bruce Ravel
+μ(E) data:
FeS2_RT.xmu
+crystal data:
FeS2.inp
+(this is a file format that Artemis can inport)
+final fitting model:
FeS2_final.fpj
+discussion of FeS2 final fit:
fes2.pdf
+
+++
+- Sample preparation and sample environments: +
A discussion of how to plan for your XAS experiment, how to prepare +your samples for measurement, and how to plan for in situ and +operando experiments
+-
+
Presenter: Eli Stavitski
+Slide deck:
Sample prep and sample environments.pdf
+
+
Wednesday, October 11#
+-
+
- XANES analysis: +
An introduction to methods and challenges of XANES analysis.
+-
+
Presenter: Denis Leshchev
+Slide deck:
XANES_analysis_workshop.pdf
+
+++
+- EXAFS analysis II: +
The FeS2 example from the previous day might seem a bit +too simple. It involves analysis of a crystalline material, thus +the path through the analysis obviously starts with crystal data. +In these two lectures, some ideas are presented about how to +perform EXAFS analysis on more complex materials.
+-
+
Presenter: Bruce Ravel
+EXAFS and non-crystalline materials:
noxtal.pdf
+A hard EXAFS problem, Hg bound to nucleotides:
hgdna.pdf
+
+++
+- High energy resolution techniques: +
High energy resolution fluorescence detection (HERFD), X-ray +emission spectroscopy (XES), and resonant inelastic X-ray +spectroscopy (RIXS) using crystal spectrometers.
+-
+
Presenter: Denis Leshchev
+Slide deck:
High_resolution_techniques_workshop.pdf
+
+++
+- Combined techniques: +
How to plan for and implement additional measurement techniques +such as XRD and DRIFTS during your XAS experiment.
+-
+
Presenter: Lu Ma
+Slide deck:
LM-XAS2023-1.pdf
+
+
Thursday, October 12#
+-
+
- Experimental session: +
Hands-on XAS data collection at the NSLS-II hard X-ray spectroscopy beamlines
+ +
+
Data from BMM#
+During the hands-on experiment at BMM, we measured the following +materials, all at the iron K edge:
+-
+
Wustite : FeO, +measured in transmission
+Hematite: Fe2O3, measured in transmission
+Pyrite: FeS2, +measured in transmission
+Vesuvianite: +nominally Ca10(Mg, Fe)2Al4(SiO4)5(Si2O7)2(OH,F)4, measured in transmission and fluorescence
+FeS2 extracted from a battery and measured in fluorescence +(sample contributed by a workshop participant)
+
Zip file containing these data: BMM data.zip
Links and Resources#
+Here is a zip file with all of the downloads linked above:
+October2023.zip