Thermoelectric Properties of CuS Doped with P, As, Sb and Bi-Theoretical and Experimental Studies.

The aim of this work was to investigate the possibility of doping copper sulfide CuS with selected fifth-group elements, potentially having a positive effect on the thermoelectric properties of the resulting materials. For the selected model structures, theoretical calculations and an analysis of the electronic structure and changes in the enthalpy of formation due to doping were performed using the WIEN2k package employing the Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method within density functional theory (DFT) formalism. Polycrystalline materials with the nominal composition of CuSX ( = P, As, Sb, Bi) were synthesized in quartz ampoules, then sintered using the spark plasma sintering (SPS) technique and "SPS melting" method.

Experimental and Theoretical Studies on Possibility of Void Filling by Magnesium in Mg-Doped Tetrahedrites.

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 -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 -type conductivity.

Extremely Fast and Cheap Densification of CuS by Induction Melting Method.

The aim of this work was to obtain dense CuS superionic thermoelectric materials, homogeneous in terms of phase and chemical composition, using a very fast and cheap induction-melting technique. The chemical composition was investigated via scanning electron microscopy (SEM) combined with an energy-dispersive spectroscopy (EDS) method, and the phase composition was established by X-ray diffraction (XRD). The thermoelectric figure of merit was determined on the basis of thermoelectric transport properties, i.

Thermoelectric Properties of CuSe Synthesized by Hydrothermal Method and Densified by SPS Technique.

The aim of the work was to obtain copper (I) selenide CuSe material with excellent thermoelectric properties, synthesized using the hydrothermal method and densified by the spark plasma sintering (SPS) method. Chemical and phase composition studies were carried out by X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) methods. Measurements of thermoelectric transport properties, i.

Neutron diffraction, electronic band structure, and electrical resistivity of Mo(3-x)Ru(x)Sb(7).

Neutron diffraction experiments and Korringa-Kohn-Rostoker with coherent potential approximation electronic band structure calculations as well as electrical resistivity measurements have been performed on polycrystalline Mo(3-x)Ru(x)Sb(7) samples for 0 < or = x < or = 1. Neutron diffraction studies have been undertaken at room temperature and extended down to 4 K to get a better understanding of the crystalline structure modifications as the Ru content increases. Both structural and chemical characterizations have unambiguously revealed a solubility limit of the Ru atoms close to 0.