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.

11. Homogeneous Catalysis I

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

11. Homogenous Catalysis I

12. Homogenous Catalysis II

 

 

Dozent:

Prof. Dr. Felix Studt; IKFT, Bereich Theorie und Modellsysteme