Topics of research

Inorganic Solid State Chemistry | Thermoelectric materials | Nonlinear optical materials.
(High temperature) synthesis, structure determination, transport properties, magnetic and thermochemical properties (equipment) | Band structures (DFT) | Machine learning (ML) | Correlations between crystal structure, electronic structure, and physical properties. Unusual Sb–Sb, Se–Se and Te–Te bonding, square net distortions, structure maps

Brief summary of our research

Figure of merit versus temperature predicted for five materials.

One of our newest projects is to utilize Cu ion mobility to lower the thermal conductivity. This mobility has to be localized within each unit cell in order to inhibit Cu ion migration throughout the material, which would otherwise cause device degradation. Since the thermoelectric properties depend on the thermopower as well as on the electrical and thermal conductivity, various property measurements are routinely carried out in our group. The syntheses are guided by calculations including machine learning performed by students who are fascinated by the theoretical aspects of chemical research.

Selected publications

HK portrait

Prof. Dr. Holger Kleinke

Department of Chemistry
Waterloo Institute for Nanotechnology
University of Waterloo
Waterloo, Ontario, Canada N2L 3G1
Phone +1 (519) 888-4567 ext. 33577