Crystal structure and improved thermoelectric performance of iron stabilized cubic Cu₃SbS₃compound

Abstract

The high performance of the iron-stabilized cubic structure of Cu3SbS3 makes it a strong candidate for thermoelectric application.

Gapped metals as thermoelectric materials revealed by high-throughput screening

“…As reported recently in Ref. [96], this compound was stabilized in the cubic structure by doping with Fe and tuning the hole carriers by Sb doping. The zT was measured to be 0.8 at 600 K. Cu 12 Sb 4 S 13 (SI Fig.…”

Enhanced thermoelectric performance in polymorphic heavily Co-doped Cu2SnS3 through carrier compensation by Sb substitution

“…Moreover, the lattice component, κ l , is found to decrease gradually with x , optimally to 1.05 W m −1 K −1 at 323 K with x = 0.08 (in Figure 6(b )). This can be related to the improved phonon scattering due to the alloying effect with enhanced mass-fluctuation as well as the presence of Cu 3 SbS 3 , which also exhibits very low κ l of 0.2 ~ 0.3 W m −1 K −1 at 300 ~ 623 K [ 41 ] with a high lattice vibrational anharmonicity due to the 5s 2 orbital lone-pair electrons of the trivalent Sb atoms. As temperature rises up to 673 K, the κ l values converge gradually to 0.3 ~ 0.4 W m −1 K −1 in the x = 0 sample.…”

Structural and electronic evolution in the Cu3SbS4–Cu3SnS4solid solution

“…Over the past few years, several copper-based multinary sulfides such as the Cu-Sn-S, Cu-Sn-Zn-S and Cu-Sb-S compounds have been reported as promising thermoelectric materials and high-efficiency absorbers for photovoltaic applications. [1][2][3][4][5][6][7][8][9] The multinary nature of these compounds is the key feature that enables the tunability and versatility of the electronic and transport properties of these systems. However, the large compositional space makes it quite difficult to control competing phases or compositional variations within a sample, as well as to characterize and fully exploit cation disorder and defect chemistry in these compounds.…”