Study on the Influence Mechanism of Alkaline Earth Element Doping on the Thermoelectric Properties of ZnO

As a promising n-type semiconductor thermoelectric material, ZnO has great potential in the high-temperature working temperature range due to its advantages of abundant sources, low cost, high thermal stability, and good chemical stability, as well as being pollution-free. Sr-doped ZnO-based thermoelectric materials were prepared using the methods of room-temperature powder synthesis and high-temperature block synthesis. The phase composition, crystal structure, and thermoelectric performances of ZnO samples with different Sr doping levels were analyzed using XRD, material simulation software and thermoelectric testing devices, and the optimal doping concentrations were obtained. The results show that Sr doping could cause the Zn-O bond to become shorter; in addition, the hybridization between Zn and O atoms would become stronger, and the Sr atom would modify the density of states near the Fermi level, which could significantly increase the carrier concentration, electrical conductivity, and corresponding power factor. Sr doping could cause lattice distortion, enhance the phonon scattering effect, and decrease the lattice thermal conductivity and thermal conductivity. Sr doping can achieve the effect of improving electrical transport performance and decreasing thermal transport performance. The <b><i>ZT</i></b> value increased to ~0.418 at 873 K, which is ~4.2 times the highest <b><i>ZT</i></b> of the undoped ZnO sample. The Vickers hardness was increased to ~351.1 HV, which is 45% higher than the pristine ZnO.