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Practical EXAFS and XANES: Handson training in Design, Performance and Analysis of XAS experiments, 4 credits

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This course syllabus was confirmed by The Research Programmes Board at the Faculty of Science 27 January 2023. The course is in the third cycle and amounts to 4 credits.

Learning outcomes

The course aims to train new or early users to design, plan, prepare, perform, and analyse an x-ray absorption spectroscopy experiment at a synchrotron beamline or at a table-top XAS machine.
On completion of the course, participants shall be able to:

Knowledge and understanding

Explain and describe the principles behind the x-ray absorption process and how these can be used to gain knowledge about materials' electronic and physical structure.
Understand the meaning of formulating and optimizing models to describe data.
Name a selection of different x-ray-based techniques.
Explain and reproduce the general theory behind the analysis of the EXAFS process and behind the principles of linear combination analysis.
Reproduce and answer the required safety procedures and questions to perform an experiment at a hard X-ray beamline or a table-top XAS facility.
Describe the criteria for a reliable and reproducible EXAFS analysis.

Competens and skills

Describe an experiment in a way suitable for a beamtime proposal.
Write a proposal for a general call from a synchrotron, including the necessary calculations for estimating signal quality.
Prepare a powder or liquid sample for an XAS measurement at a hard- Xray beamline.
Perform a successful and safe experimental campaign at a hard-ray XAS beamline, including the general user operation of the machine.
Perform the required data pre-treatment for EXAFS/XANES analysis.
Write a FEFF input file for the structural refinement in an EXAFS analysis.
Analyze an EXAFS dataset of a solid state or molecular sample using the structural refinement method.
Analyze an EXAFS/XANES dataset using linear combination analysis with measured/calculated references.
Report the finding of an EXAFS/XANES analysis following the currently accepted standards of the IXAS society.

Judgement and approach

Discuss the results of an EXAFS/XANES analysis regarding data and analysis quality, model validity, and measurement uncertainties.
Explain strength and weaknesses of different x-ray-based techniques, and describe which method is best suited for a selection of scientific questions.

Course content

The course contains three major elements:

1. Lectures/seminars with focus on:

Creation, interaction and measurement with/of X-rays
Concept, design and analysis of XAS measurements
Large-scale facilities, proposal and publication of scientific results

2. Practical data analysis

EXAFS analysis of molecular and solid samples
XANES analysis of molecular, solid and nanoparticulate samples
Linear combination analysis in XANES/EXAFS of diverse mixed samples (e.g. earth, ash) or different metal alloys and crystalline materials (e.g. CZTS)

3. Practical work including sample preparations, safety training, MAX IV tour and measurements.

Forms of instructions

The course consists of lectures, seminars, performance of an experiment and to a large extent of practical analysis work. It is compulsory to participate in 80% of the lectures and to participate in the final seminar.

Forms of assessment

The assessment is based on a written home exam, an oral presentation and a defence of the results during the final seminar of the course.

Grades

Possible grades are Pass and Fail. To pass the course, the student must have passed the written home exam and passed the oral presentation including the defence.

Language of instruction

The course is given in English.

Necessary prior knowledge

The course is designed for students at the third cycle level with a natural sciences or technical background.

Course responsible teacher and unit/division

Jens Uhlig
Email: jens.uhlig@chemphys.lu.se

Division of Chemical Physics

Do you have questions? Please contact viveka.alfredsson@chem.lu.se