As the search continues for novel, cheaper, more sustainable, and environmentally friendly thermoelectric materials in order to expand the range of applications of thermoelectric devices, the tetrahedrite mineral (Cu₁₂Sb₄S₁₃) stands out as a potential candidate due to its high abundance, low toxicity, and good thermoelectric performance. Unfortunately, as most current thermoelectric materials achieve zTs above 1.0, ternary tetrahedrite is not a suitable alternative. Still, improvement of its thermoelectric performance has been achieved to zTs ≈ 1 via isovalent doping and composition tuning, but most studies were limited to a single doping element. This project explores the effects of simultaneous doping with nickel and selenium in the thermoelectric properties of tetrahedrite. Simulated properties for different stoichiometric contents of these dopants, as well as the measured thermoelectric properties of the correspondent materials, are reported. One of the samples, Cu_11.5Ni_0.5Sb₄S_12.5Se_0.5, stands out with a high power factor = 1279.99 µW/m·K² at 300 K. After estimating the thermal conductivity, a zT = 0.325 at 300 K was obtained for this composition, which is the highest for tetrahedrites for this temperature. However, analysis of the weighted mobility shows the presence of detrimental factors, such as grain boundaries, disorder, or ionized impurity scattering, pointing to the possibility of further improvements.

Thermoelectric (TE) materials offer a promising solution to reduce green gas emissions, decrease energy consumption, and improve energy management due to their ability to directly convert heat into electricity and vice versa. Despite their potential, integrating new TE materials into bulk TE devices remains a challenge. To change this paradigm, the preparation of highly efficient tetrahedrite nanocomposites is proposed. Tetrahedrites were first prepared by solid state reaction, followed by the addition of MoS₂ nanoparticles (NPs) and hot-pressing at 848 K with 56 MPa for a duration of 90 min to obtain nanocomposites. The materials were characterized by XRD, SEM-EDS, and Raman spectroscopy to evaluate the composites’ matrix and NP distribution. To complement the results, lattice thermal conductivity and the weighted mobility were evaluated. The NPs’ addition to the tetrahedrites resulted in an increase of 36% of the maximum figure of merit ($zT$) comparatively with the base material. This increase is explained by the reduction of the material’s lattice thermal conductivity while maintaining its mobility. Such results highlight the potential of nanocomposites to contribute to the development of a new generation of TE devices based on more affordable and efficient materials.

One of the biggest obstacles to broadening the implementation of thermoelectric generators are the currently available thermoelectric materials, which tend to feature rare/expensive and toxic elements such as Bi, Pb or Te