At the Institute of Catalysis Research and Technology (IKFT), catalytic processes for the production of chemical fuels, based on the conversion of accessible biomass synthesis gas and CO2 and H2 from renewable sources, are investigated both experimentally and theoretically. The topic of this PhD-project is the conversion of methanol and dimethyl ether to hydrocarbons that can be used as fuels or fuel additives. We aim at an understanding of the underlying chemical processes through the exploration of relevant reaction mechanisms. This will be done with theoretical investigations using periodic density functional theory calculations as well as non-periodic ab initio calculations on cluster models to investigate the reactivity of solid acid catalysts. The main electronic structure program packages in use are VASP and TURBOMOLE. The obtained data will be used to develop microkinetic models of the process in collaboration with ongoing experimental investigations in our institute.

Personal Qualification: Diploma or Master in Chemistry, Physics or related studies. You have successfully completed your diploma or master's degree and have a high interest in scientific research. Initial experience in the fields of heterogeneous catalysis, reaction mechanisms, theoretical chemistry and computer simulations are a good basis for the position. Good command of either German or English is mandatory.

The Institute of Catalysis Research and Technology (IKFT) is located at the Campus North of the Karlsruhe Institute of Technology (KIT).

https://www.ikft.kit.edu/english/606.php

Prof. Felix Studt will be the PhD supervisor. For questions and applications contact Philipp Pleßow, [email protected].