Theorie und molekulare Simulation in der Katalyse - Lehrmaterial
WS 2017/2018
1. Introduction
2. Fundamentals of Simulations
3. The Potential Energy Diagram
4. Surface Equilibria and Rate Constants
5. Kinetics
6.
7. Catalyst Structure and Electronic Factor
8. Acid Base and Oxide Catalysis
9.
10.
12. Homogenous Catalysis II / Electrocatalysis I
WS 2016/2017
1. Introduction
2. Fundamentals of Simulations
3. The Potential Energy Diagram
4. Surface Equilibria and Rate Constants
5. Kinetics
6. Energy Trends and Volcanoes
7. Catalyst Structure and Electronic Factor
8. Acid Base and Oxide Catalysis
9. / 10. Electrocatalysis
Dozent:
Prof. Dr. Felix Studt; IKFT, Bereich Theorie und Modellsysteme