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Topic Solid State Chemistry

Our research aims at the construction of binary and ternary phase diagrams, the synthesis of intermetallic phases and semiconducting compounds, as well as their characterization. We investigate various thermochemical properties, crystal structure, magnetic properties, and so on. Special emphasis is placed on non-stoichiometric intermetallic compounds with ordered crystal structures (e.g., B2-, B8-, L12-, D03-, and D019-structure); their thermochemical properties are interpreted by statistical-thermodynamic models in order to understand the corresponding defect mechanisms and the energetic background of non-stoichiometry. For various binary systems, the experimental information on thermochemical properties and phase equilibria is collected to be used for thermodynamic modeling and optimization with the so-called CALPHAD-method. The obtained optimized parameters can be stored in various databases.

In recent times we have initiated research to synthesize metallic nano-materials by chemical reduction as well as by gas/solid synthesis methods.

Areas of application for the materials investigated are intermetallic anodes for lithium ion batteries, lead-free solders for electronics, aluminum alloys for power generation and power engineering, catalysts for methanol-steam reforming.

Methods (experimental):

X-ray powder diffraction for sample characterization (diffractometry, Guinier, high-temperature Guinier) and crystal structure determination (single crystal diffractometry in cooperation with the Department of Mineralogy and Crystallography);

Differential thermal analysis (DTA) for construction and refinement of phase diagrams;

Differential scanning calorimetry (DSC) to measure latent heats and heat capacities;

Thermogravimetric analysis (TGA) to measure temperature dependent mass changes;

Determination of various thermodynamic properties of metallic materials by vapor pressure measurements (isopiestic method) and emf-measurements (measurements of the electromotive force);

Determination of heats of formation and heat capacities using high-temperature calorimeters;

[Determination of magnetic properties (magnetic susceptibility, magnetization)]

Methods (Theory):

Interpretation of ordering in non-stoichiometric phases using statistical-thermodynamic models;

Calculation of ground states using density functional theory (DFT);

Calculation of phase equilibria and optimization of thermodynamic data with the CALPHAD-method (CALculation of PHAse Diagrams).

Institut für Anorganische Chemie - funktionelle Materialien
Universität Wien

Währingerstr. 42
A-1090 Wien

Mo, Mi - Fr. 9:00 - 12.00

Do zusätzlich 13:30-15:30, entfällt in der vorlesungsfreien Zeit

T: +43 1 4277 52901
Universität Wien | Universitätsring 1 | 1010 Wien | T +43-1-4277-0