Professor of Materials Science and Chemical Engineering, Stony Brook University
Senior Chemist, Brookhaven National Laboratory
Graduate course
Introduction to X-ray Absorption Fine Structure spectroscopy
X-ray absorption fine structure (XAFS) spectroscopy is a premier technique for studying the local structure, electronic properties and dynamics in a large variety of functional materials, ranging from catalysts to battery materials to novel metal organic frameworks to quantum dots and nano-actuators. The primary topic of this course is to teach participants the foundations of XAFS technique and its many applications to different fields. The course will include lectures, software demonstrations, hands-on data analysis and problem-solving sessions. In the last two lectures, we will discuss topics of interest to all course participants and develop strategies for incorporating XAFS analysis in their research programs. The course instructor has 30 years of experience in application of XAFS to a broad range of materials and contributed new methods for data analysis and modeling. Target enrollment: 10 students minimum, 30 – maximum.
Grading
60% Independent project: data analysis and interpretation of the results (evaluated based on the project materials submitted in the end of the course)
20% Presentation of the project results (evaluated based on the 15 min presentation on the last day of the course)
20% Data analysis report (manuscript-style, 3 pages, maximum – 5 figures)
Tentative syllabus:
Theory of XANES and EXAFS; Synchrotron sources, beamlines and endstations; Details of XAFS experiment; Methods of data analysis: XANES and EXAFS; Advanced data analysis methods (machine learning, reverse Monte-Carlo, molecular dynamics – assisted analysis etc.); Examples and applications.
|
Date
|
Lecture
W 9:15-11:00 FGS, Rm 1
|
Practical session
W 15:00-15:45, Rm. 2
|
|
17.04
|
Introduction to the course and overview of X-ray absorption spectroscopy. Fundamentals of synchrotron radiation; synchrotron sources, beamlines and endstations.
|
|
|
1.05
|
X-ray absorption spectroscopy: data processing.
|
Software demonstration (Demeter/Athena and Larch).
|
|
8.05
|
Theory of X-ray absorption near edge structure (XANES).
|
Software demonstration (FEFF10 and CORVUS).
|
|
15.05
|
Theory of extended X-ray absorption fine structure (EXAFS).
|
Software demonstration (Demeter and Artemis).
|
|
22.05
|
EXAFS data analysis and modeling.
|
Software demonstration (Demeter and Artemis).
|
|
29.05
|
Problem solving methods: analysis of XANES experiments with heterogeneous mixtures and time-resolved spectra.
|
Demonstration (Athena).
|
|
5.06
|
Problem solving methods: analysis and modeling of metal nanoparticles. Part I.
|
Demonstration (Artemis).
|
|
19.06
|
Problem solving methods: analysis and modeling of metal nanoparticles. Part II.
|
Demonstration (Artemis).
|
|
26.06
|
Introduction to independent research using XANES and EXAFS; description of individual projects; distribution of individual or group projects (depending on the enrollment).
|
Problem solving practicum and work on independent research project.
|
|
3.07
|
Determination of bond length disorder using EXAFS: temperature dependence, Einstein and Debye models, and their applications for problem solving.
|
Work on independent research project.
|
|
10.07
|
Presentations:15 m per person or groups, depending on the enrollment.
|
|
|
17.07
|
Final exam
|
|