Heterogeneous catalysis : theory and experiment

The research activities cover mechanistic studies of catalytic reactions, chemisorption of reactants as well as synthesis and characterization of mixed oxide catalysts.

RESEARCH TOPICS

  • oxidative dehydrogenation of light alkanes
  • conversion of alcohols
  • steam reforming of ethanol
  • biomass valorisation: hydrogenation of glycerol, furfural, and furfurol
  • catalysts for methanol synthesis
  • hybrid catalysts for CO2 to DME
  • theoretical studies of modified heteropolyacids
  • kinetics of reduction of oxides on supports
  • zeolite synthesis and modifications with ions, metals, oxides, and heteropolyacids
  • desilication, dealumination and realumination of zeolites
  • activation of small molecules (O2, CO2, CH4)

METHODS

  • catalytic tests in flow and impulse regimes
  • kinetic measurements with differential flow reactor
  • DFT and TDDFT calculations in cluster and periodic approach
  • X-ray diffraction, XPS spectroscopy, temperature programmed desorption (TPD), temperature programmed (TPR), temperature programmed oxidation (TPO), mass spectrometry, electron microscopy, low temperature nitrogen sorption, NMR spectroscopy, IR spectroscopy, reaction monitoring with in situ IR
  • computer simulations for modeling of reaction kinetics

MAIN ACHIEVEMENTS

  • formulation of a model for the adsorption of the reactants in the methanol synthesis on the catalyst used in this reaction
  • synthesis and characterisation of a new class of transition metals telluromolybdates
  • elucidation of the role of alkali metal promotors of the V2O5/TiO2 catalysts on kinetics of reduction and efficiency in the reaction of oxidative dehydrogenation of propane
  • formulation of kinetic models for propane oxidative dehydrogenation over V2O5/TiO2 catalysts
  • experimental confirmation that the structure of vanadia monolayer on anatase is independent of the preparation method, structure and modification of TiO2
  • elucidation of the role of crystal phase of the support in Cu/ZrO2 catalyst on its activity in CO2 hydrogenation to methanol
  • creation of a new kind of hydroxyls in zeolite Y of higher acidity than in other known zeolites