High-Performance Thermoelectric Bulk Colusite by Process Controlled Structural Disordering

Cedric Bourges (1) , Yohan Bouyrie (2) , Andrew R. Supka (3) , Rabih Al Rahal Al Orabi (3) , Pierric Lemoine (4) , Oleg I. Lebedev (1) , Michihiro Ohta (2) , Koichiro Suekuni (5) , Vivian Nassif (6) , Vincent Hardy (1) , Ramzy Daou (1) , Yuzuru Miyazaki (7) , Marco Fornari (3) , Emmanuel Guilmeau (1)

1 CRISMAT - Laboratoire de cristallographie et sciences des matériaux
2 AIST - National Institute of Advanced Industrial Science and Technology
3 CMU - Central Michigan University
4 ISCR - Institut des Sciences Chimiques de Rennes
5 Kyushu University
6 NEEL - CRG - CRG & Grands instruments
7 Tohoku University [Sendai]

High-performance thermoelectric bulk sulfide with the colusite structure is achieved by controlling the densification process and forming short-to-medium range structural defects. A simple and powerful way to adjust. carrier concentration combined with enhanced phonon scattering through point defects and, disordered regions is described. By combining experiments with band structure and phonons calculations, we elucidate, for the first time, the underlying Mechanism at the origin, of intrinsically low thermal conductivity in colusite samples as well as the effect of S vacancies and antisite defects on the carrier concentration. Our approach provides a controlled and scalable method to engineer high power factors and remarkable figures of merit near the unity in complex bulk sulfide such. as Cu26V2Sn6S32 colusites.

Keywords: Thermal conductivity; Band structure; Granular materials; Scattering; Defects

Domains: Chemical Sciences; Material chemistry; Chemical Sciences; Inorganic chemistry

Cedric Bourges, Yohan Bouyrie, Andrew R. Supka, Rabih Al Rahal Al Orabi, Pierric Lemoine, et al.. High-Performance Thermoelectric Bulk Colusite by Process Controlled Structural Disordering. Journal of the American Chemical Society, 2018, 140 (6), pp.2186-2195. ⟨10.1021/jacs.7b11224⟩. ⟨hal-01737387⟩