Karoliina Honkala

Name Karoliina Honkala
Work Groups Work Group 4 - Theory
Laboratory Department of Chemistry
Organisation University of Jyväskylä
Areas of Research acrolein hydrosilylation, trichloroethyelene hydrodehalogneation, propane selective conversion, Au nanosrtuctures on metal supported ultrathin oxide films and on metal-doped bulk oxides, carbon oxide chemistry on ZrO2
Areas of Future Interest CO2 reduction, ....

Selected Publications:

Brief CV
I have a long-standing experience on density functional theory calculations
on chemical reactions (eg. O2 dissociation CO oxidation, ammonia synthesis, ethylene decompostion, trichloroethylene hydrodechlorination, acrolein hydrosilylation) over metal surfaces (usually mimicing metal nanoparticles). I have also studies oxide supported Au clusters and chemical properties bare oxide surfaces. For ammonia synthesis I have employed multiscale modeling framework (DFT +microkinetics + Metropolis Monte Carlo) to study ammonia production under industrially relevant conditions.