We invite applications for a PhD position at the University of Vienna
in the field of "Computational Single-Atom Catalysis".

Single-atom catalysis (SAC) represents the ultimate frontier to develop more environmentally-friendly and energy-efficient catalysis. The most challenging problem in SAC today is that it is exceedingly difficult to determine the structure of the active site.

The aim of this PhD project is to determine the local bonding environment and the catalytic mechanism of different metal/support combinations using first principles calculations.
The computational research will be conducted in close collaboration with the experimental surface science group of Gareth Parkinson @ TU Wien and is granted by the Austrian Science Funds within the START project "Unravelling Single-Atom Catalysis: A Surface-Science Approach"

Reguirements: MSc in Physics, Chemistry, or a related field.
Some experience in computational materials science and computational chemistry is desirable, as well as an interest in collaborating closely with experimental groups.

To apply please send a letter of interest, CV, transcript of courses and grades and
names of two references in one-single PDF file to [email protected]; subject: "PhD Single-Atom Catalysis"

References:
Z. Jakub et al, Local Structure and Coordination Define Adsorption in a Model Ir1/Fe3O4 Single‐Atom Catalyst, Angewandte Chemie 2019, DOI: https://doi.org/10.1002/anie.201907536

M. Meier et al, Water Agglomerates on Fe3O4(001)
PNAS 2018, DOI: https://doi.org/10.1073/pnas.1801661115

Web:
https://homepage.univie.ac.at/cesare.franchini/
https://www.iap.tuwien.ac.at/www/surface/group/parkinson/index