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With global warming and rising energy demands, it is important now than ever to transit to renewable energy systems. Thermoelectric (TE) devices can present a feasible alternative to generate clean energy from waste heat. However, to become attractive for large-scale applications, such devices must be cheap, efficient, and based on ecofriendly materials. In this study, the potential of novel silicide-tetrahedrite modules for energy generation was examined. Computer simulations based on the finite element method (FEM) and implicit finite difference method (IFDM) were performed. The developed computational models were validated against data measured on a customized system working with commercial TE devices. The models were capable of predicting the TEGs' behavior with low deviations ( ≤ 10%). IFDM was used to study the power produced by the silicide-tetrahedrite TEGs for different Δ T between the sinks, whereas FEM was used to study the temperature distributions across the testing system in detail. To complement these results, the influence of the electrical and thermal contact resistances was evaluated. High thermal resistances were found to affect the devices Δ T up to ~15%, whereas high electrical contact resistances reduced the power output of the silicide-tetrahedrite TEGs by more than ~85%. [ABSTRACT FROM AUTHOR]

Tetrahedrites, due to their promising thermoelectric properties, are one of the materials being investigated for use in thermoelectric generators. One problem is the lack of n-type tetrahedrites, which would be beneficial for the design of tetrahedrite thermoelectric modules. Preliminary theoretical studies have shown that elements from groups I and II can be introduced into the structural voids of tetrahedrite, acting as donor dopants, and should enable n-type conductivity. Therefore, in this work, an attempt was made to obtain and study magnesium-doped tetrahedrites. A series of samples, MgxCu12Sb4S13, with different magnesium contents were obtained and their phase and chemical compositions were characterized. It was observed that the structural changes occurring upon doping indicate that Mg atoms are likely to be embedded in the structural voids. The experimental studies have been supported by electronic structure calculations indicating that the most likely location of Mg is in the structural voids at the 6b Wyckoff position. Seebeck coefficient and resistivity measurements showed that doping with Mg reduces the concentration of holes, which is consistent with the predicted donor character of the dopant. However, the introduction of magnesium in sufficient amounts to achieve n-type conductivity was not successful. [ABSTRACT FROM AUTHOR]

This contribution deals with the mechanochemical synthesis, characterization, and thermoelectric properties of tetrahedrite-based materials, Cu12-xMxSb4S13 (M = Fe2+, Zn2+, Cd2+; x = 0, 1.5, 2). High-energy mechanical milling allows obtaining pristine and substituted tetrahedrites, after short milling under ambient conditions, of stoichiometric mixtures of the corresponding commercially available binary sulfides, i.e., Cu2S, CuS, Sb2S3, and MS (M = Fe2+, Zn2+, Cd2+). All the target materials but those containing Cd were obtained as single-phase products; some admixture of a hydrated cadmium sulfate was also identified by XRD as a by-product when synthesizing Cu10Cd2Sb4S13. The as-obtained products were thermally stable when firing in argon up to a temperature of 350–400 °C. Overall, the substitution of Cu(II) by Fe(II), Zn(II), or Cd(II) reduces tetrahedrites' thermal and electrical conductivities but increases the Seebeck coefficient. Unfortunately, the values of the thermoelectric figure of merit obtained in this study are in general lower than those found in the literature for similar samples obtained by other powder processing methods; slight compositional changes, undetected secondary phases, and/or deficient sintering might account for some of these discrepancies. [ABSTRACT FROM AUTHOR]