P2-0148 — Final report
1.
Simulation of conversion of nitrogen oxides in atmosphere and at surfaces and catalytical degradation of hydrocarbons.

Theoretical studies based on quantum-chemical calculations were employed to compute the vertical excitation energies for the low-lying singlet and triplet states of XONO (Cl,Br). We have explained the nature of electronic transitions and possible photodissociation processes. These species can be considered as a sink of certain radicals. We describe the nature of N2O bonding. Unusal declined desorption of N2 resulted from thermal decomposition of N2O on (110) metal surfaces makes these interactions of particular interest. T results are useful for understanding the N2O removal mechanism.

COBISS.SI-ID: 20356391
2.
Theoretical and experimental modeling of charge and mass transport in multiphase solid materials.

We explained the influence of phase boundaries (interfaces) on the electrochemical transport in general polycrystalline and selected multiphase solids. We identified and explained a new type of charge storage at the interfaces in nanocrystyalline solids (interfacial storage). We have considered, theoretically and experimentally, the general kinetics of electrochemical wiring in Li battery cathodes and showed ways towards optimization of these kinetics. The achievements are of great importance for understanding of transport in insertion battery materials, fuel cells and in selected sensors.

COBISS.SI-ID: 2859802
3.
New materials and mechanisms in the field of energy storage and conversion

We have invented 2 entirely novel materials for potential use as electrodes in Li ion batteries. We have invented a new synthetic procedure for electrochemical wiring of poorly conductive active materials. We have explained the mechanism of formation of multiphase wired nanoarchitectures in LiFePO4-electrodes based on a citrate-precursor method. We have explained the mechanism of general electrochemical reactions occurring on platinum in the presence of inactive adsorbates. The achievents are of great significance for development of new generations of Li batteries and fuel cells.

COBISS.SI-ID: 3749914
4.
Various alloys for specific technological and biomedical applications.

We have investigated various aspects of corrosion processes on alloys for technological and biomedical applications using standard electrochemical methods, electrochemical quartz nanobalance, impedance spectroscopy and surface analytical methods. Among technological alloys, the emphasis was on Cu-, Al- and Fe-based alloys. Among biomedical alloys, Co- and Ti-based alloys and stainless steel, we were interested in degradation mechanisms and long-term survivorship.

COBISS.SI-ID: 20162087
5.
Novel composite materials for controlled release of drugs and for taste masking.

In cooperation with both major Slovenian pharmaceutical companies (Lek, Krka) we developed several methods for preparation of drug composites with improved precision of temporal and spatial release. We have also invented selected procedures for coating of drug particles with the aim of preventing unpleasant taste. Using modeling on continuum level and experiments, we showed that encapsulation of drugs into microporous materials leads to stabilization of drug in its amorphous state.

COBISS.SI-ID: 3635482