Efficiency assessment of novel materials based flexible thermoelectric devices by a multiscale modeling approach

The presented work demonstrates a multiscale approach for evaluating novel materials for room temperature thermoelectric applications and provides some insights into the development of flexible devices composed of those materials. Tetrahedrite is studied as it is a promising p-type thermoelectric material that exhibits good thermoelectric properties at room temperature. Considering our target application, analysis of the theoretical results reveals that tetrahedrite is an interesting surrogate material to bismuth telluride for room temperature applications with a power factor ranging from 4.16 μW/cm K2, for the pristine tetrahedrite compound, to around 9 μW/cm K2, for a doped tetrahedrite. A single thermocouple made of p-type pristine tetrahedrite and n-type natural chalcopyrite has an optimum output power of 5.53 nW/K. This output power can reach 7.47 nW/K when optimally doping tetrahedrite.