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

See also Methanol oxidation on nanoporous gold

PhD Thesis (2019)

Title of the thesis:
CO and Methanol Oxidation on Unsupported Mono- and Bimetallic Coinage Metals

Master thesis (2014)

Ab initio calculations on the Adsorption of CO on Titanium Dioxide: Application of the Method of Local Increments

Bachelor thesis (2010)

Ab initio calculations on the Structure and Electronic Properties of bridged Platinum Sulphate complexes


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