3 ECTS credits
75 h study time
Offer 1 with catalog number 4021580ENR for all students in the 2nd semester at a (E) Master - advanced level.
This course consists of three parts: repetition of introductory concepts and basic principles, extensive descriptions of surface modeling and experimental characterization techniques placed in the context of their applications. The most common tools for modeling and surface characterization by: theoretical approaches (DFT) and microscopy, spectroscopy and spectrometry (STM, AFM, LEED, XPS, ToF-SIMS, ...) are described, compared and shown in different areas of application of materials. (energy, catalysis, biomaterials, micro-electronic corrosion, aviation ...). This module must allow acquiring knowledge to understand the surface chemistry of materials. This course is intended for all students who are interested in materials, their reactivity, processes and / or analytical chemistry and modeling (DFT).
Practicum:
9 hours of DFT modeling
4 hours of demonstration of experimental techniques.
The objectives of this course concern the general understanding of surface properties and atomic mechanisms involved in surface reactivity. They also concern the understanding of the principles and some practical aspects of the main surface chemical characterization techniques, such as photoelectron spectroscopy (XPS) and time-of-flight ion spectrometry (ToF-SIMS), as well as in-depth initiation of techniques for surface reactivity modeling using the tools of theoretical chemistry (DFT). At the end of the module, the students must be able to quickly understand and criticize, in a scientific publication, the scientific approach of the authors and the means they have given themselves to apprehend a question of surface reactivity. They must be able to discuss (justify or refuse), based on their knowledge, other reactionary approaches proposed by the examiner. They must be able to propose combinations of characterization techniques to explain as precisely as possible surface phenomena.
The final grade is composed based on the following categories:
Other Exam determines 100% of the final mark.
Within the Other Exam category, the following assignments need to be completed:
Oral test: discussion of a scientific article. 80%
Practicum (Modeling exercise). 20%
This offer is part of the following study plans:
Master of Chemistry: Chemical Theory, (Bio)Molecular Design and Synthesis