Wilke Dononelli, PhD
Contact
Wilke Dononelli, PhD
Current Research
Electronic structure calculations of oxidation reactions on nanoporous gold
- Oxygen activation as well as partial and total oxidation of methanol on Au(321), Au(310) and Au(332)
- DFT calculations using periodic boundary conditions as implemented in the plane augmented wave based Vienna ab initio simulation package (VASP)
- CCSD(T) calculations of catalytic reactions on metal nanoparticles and in QM/QM embedded cluster calculations
PhD Thesis (2019)
Title:
CO and Methanol Oxidation on Unsupported Mono- and Bimetallic Coinage Metals
Master thesis (2014)
Title:
Ab initio calculations on the Adsorption of CO on Titanium Dioxide: Application of the Method of Local Increments
Bachelor thesis (2010)
Titel:
Ab initio calculations on the Structure and Electronic Properties of bridged Platinum Sulphate complexes