Electronic and Local Atomic Structure using Synchrotron Methods. (3-0) 3 Credit Hours

Catalog description

In this course, the student will learn how to model the local atomic structure of metal and metal oxide catalysts by extended X-ray absorption fine structure spectroscopy using software such as WinXAS, Atoms, FEFF, and FEFFIT. The student will learn how to reduce and normalize experimental data with WinXAS. Then, the student will utilize Atoms software to arrange atoms spatially, requiring knowledge of basic crystallography. The student will construct theoretical spectra for extended X-ray absorption fine structure spectroscopy based on interatomic interactions and scattering paths. The student will then utilize FEFFIT to fit experimental data with theoretical spectra using parameters such as coordination number, Debye-Waller factor, lattice contraction/expansion, and shift in binding energy. This course has Differential Tuition.