Structural and thermoelectric properties of n-type isocubanite CuFe₂S₃

Abstract

An effective strategy to enhance thermoelectric performance consists of scattering phonons by point defects, such as the ones intrinsic to the n-type isocubanite CuFe2S3.

High-Performance Thermoelectric Bulk Colusite by Process Controlled Structural Disordering

“…A non-exhaustive list includes p-type tetrahedrite Cu 12-x Tr x Sb 4 S 13 (ZT ~ 0.80 @ 700 K) [18][19][20][21][22][23][24][25][26][27][28][29][30][31] with Tr = Mn, Fe, Co, Ni, Zn (x ≤ 2), colusite Cu 26 V 2 Sn 6 S 32 (ZT ~ 0.60 @ 700 K), 32,33 germanite-derivative Cu 22 Fe 8 Ge 4 S 32 (ZT ~ 0.17 @ 575 K), 34 bornite Cu 5 FeS 4 (ZT ~ 0.55 @ 550 K), [35][36][37] stannoidite Cu 8.5 Fe 2.5 Sn 2 S 12 (ZT ~ 0.35 @ 630 K), 38 Cu 2 SnS 3 (ZT ~ 0.56 @ 750 K), 39 Cu 2 ZnSnS 4 (ZT ~ 0.35 @ 700 K) 40,41 , CuCr 2-x Sb x S 4 (ZT ~ 0.45 @ 650 K) 42 or n-type Cu 4 Sn 7 S 16 (ZT ~ 0.21 @ 700 K), 43 CuFeS 2 (ZT ~ 0.17 @ 630 K), 44,45 Cu 2 CoTi 3 S 8 (ZT ~ 0.18 @ 650 K) 46 and CuFe 2 S 3 (ZT ~ 0.14 @ 700 K). 47 Regardless the light atomic masses, most of these materials exhibit low thermal conductivity possibly determined by local structural distortions, rattling phenomena, or strong bond anharmonicity. In Cu 12 Sb 4 S 13 tetrahedrite, for instance, a low-energy phonon excitation is manifested by the out-of-plane motion of Cu atoms located in specific crystal site (12e) which induces scattering effects.…”

Copper Sulfides: Earth‐Abundant and Low‐Cost Thermoelectric Materials

“…A couple of studies systematically investigated the thermoelectric properties of the intrinsic compound as well as the incorporation or doping effects to tune its performance. Furthermore, the thermoelectric properties of chalcopyrite‐like compounds, such as bornite (Cu 5 FeS 4 ) and Isocubanite (CuFe 2 S 3 ), are also reported in the literature …”

“…Isocubanite (CuFe 2 S 3 ) was another candidate of the chalcopyrite family, the thermoelectric properties of which were recently studied by Barbier et al The electrical measurements show that CuFe 2 S 3 has a semimetallic nature with an electrical resistivity of 1 × 10 −3 Ω cm and possesses a medium n‐type Seebeck coefficient of −65 µV K −1 at 300 K. Its thermal conductivity is quite lower than that of chalcopyrite, which is about 3.5 W m −1 K −1 at 300 K. However, the thermoelectric performance of this compound is lower than that of chalcopyrite mainly due low thermopower values. The zT value obtained is 0.13 (with S = −70 µV K −1 , ρ = 1 × 10 −3 Ω cm, and k = 2.5 W m −1 K −1 ) around 700 K.…”

CuFe2S3 as electrode material for Li-ion batteries

“…Although the obtained sample is intergrown with chalcopyrite; as previously studied, the chalcopyrite phase forms submicronic domains, this isocubanite sample is well crystallized. 21 Note that the average particle size is about 1-2 mm without any particular shape.…”

“…It should be noticed that cubanite and its cubic polymorph isocubanite are usually found in their natural states intimately intergrown with other suldes such as chalcopyrite and pyrrhotite. Synthesis of isocubanite CuFe 2 S 3 has been rst reported by S. Pareek et al 20 In this paper, we chose a synthetic protocol recently described by Barbier et al 21 Following precursors: Cu (99.0%), Fe (99.5%), and S (99.5%) from Alfa Aesar, were mixed in the appropriate ratio. Aer sealing the cold pressed powder in a silica tube, the latter was heated at 873 K for 48 h. The room temperature powder X-ray diffraction pattern of CuFe 2 S 3 (depicted in Fig.…”