Enhancing the Thermoelectric Performance of n-Type MgSbBi by Reducing Lattice Thermal Conductivity through the Incorporation of Chlorine-Containing Compounds.

MgSb-based thermoelectric materials are characterized by their economic efficiency, nontoxicity, and environmental friendliness and represent a highly promising and eco-friendly functional material for midtemperature applications. To achieve a higher thermoelectric performance, we introduced two compounds, LaCl and CeCl, into MgSbBi under the guidance of first-principles calculations. The MgSbBi + 0.

Band Engineering and Phonon Engineering Effectively Improve n-Type MgSb Thermoelectric Material Properties.

MgSb-based thermoelectric materials can convert heat and electricity into each other, making them a promising class of environmentally friendly materials. Further improving the electrical performance while effectively reducing the thermal conductivity is a crucial issue. In this paper, under the guidance of the oneness principle calculation, we designed a thermoelectric Zintl phase based on MgSbBi doped with Tb and Er.