Crystal Structure and Thermoelectric Properties of Novel Quaternary Cu₂MHf₃S₈ (M-Mn, Fe, Co, and Ni) Thiospinels with Low Thermal Conductivity.

ABSTRACT: Uncovering of the origin of intrinsically low thermal conductivity in novel crystalline solids is among the main streams in modern thermoelectricity. Because of their earth-abundant nature and environmentally friendly content, Cu-based thiospinels are attractive functional semiconductors, including thermoelectric (TE) materials. Herein, we report the crystal structure, as well as electronic and TE properties of four new Cu₂MHf₃S₈ (M-Mn, Fe, Co, and Ni) thiospinels. The performed density functional theory calculations predicted the decrease of the band gap and transition from p- to n-type conductivity in the Mn-Fe-Co-Ni series, which was confirmed experimentally. The best TE performance in this work was observed for the Cu₂NiHf₃S_8<

SUBMITTER: Cherniushok O 

PROVIDER: S-EPMC8910496 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature