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A numerical study of thermoelectric nanocomposites is presented.Thermoelectric properties as a function of average grain size or nanoparticledensity are examined by simulating the measurements as they would be doneexperimentally. In accordance with previous theory and experimental results, wefind that the Seebeck coefficient, power factor and figure of merit, zT, can beincreased by nanostructuring when energy barriers exist around the grainboundaries or embedded nanoparticles. When we simulate the performance of athermoelectric cooler with the same material, however, we find that the maximumtemperature difference is much less than expected from the given zT. The samenanocomposite without electrically active grain boundaries has a lower measuredzT but a higher maximum cooling temperature. The physical reason for theseresults is explained. The results illustrate the limitations of zT as a figureof merit for nanocomposites with electrically active grain boundaries andsuggest that the ability to enhance the electrical performance ofthermoelectric materials by nanostructuring is limited.

Limitations of zT as a Figure of Merit for Nanostructured Thermoelectric Materials