High temperature in situ NPD study of crystal structure and phase transitions of high thermoelectric performance quaternary sulfides
Recent studies have revealed very promissing thermoelectric (TE) properties at medium temperature for complex quaternary Cu based sulfides: colusite Cu26V2Sn6S32 (ZT ~ 0.93@675 K), germanite Cu22Fe8Ge4S32 (ZT ~ 0.17@575 K), stannoidite Cu8+xFe3-xSn2S12 (ZT ~ 0.35@630 K), Cu2ZnSnS4 (ZT ~ 0.35@700 K). These TE materials are structurally related since they are all derivate from the sphalerite ZnS cubic structure (i.e. consists of corner- and edge-sharing MS4 tetrahedra crystal structures). While their structure - TE properties relationships are relatively well understood, their stability at high temperature (HT), an essential knowledge for large scale applications, have never been studied. Following our previous studies performed by HT in situ neutron powder diffraction on ternary copper sulfides Cu5FeS4, Cu12Sb4S13 and Cu4Sn7S16, we started to investigate the phase transitions of the aforementioned quaternary Cu-containing sulfides. In order to determine precisely the crystal structures (complementarity with XRPD data) and phase transitions of these TE materials and to better understand the associated electric properties, we need HT in situ neutron powder diffraction data.
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LEMOINE Pierric; BARBIER Tristan; GUILMEAU Emmanuel; NASSIF Vivian and PARADIS-FORTIN Laura. (2018). High temperature in situ NPD study of crystal structure and phase transitions of high thermoelectric performance quaternary sulfides. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-24-615
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