Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu–Sn–S diagram

Regardless of the complexity of the phase diagram of the Cu–Sn–S system, several compositions near the prototypical mohite Cu2SnS3 have arisen as potential non-toxic, earth-abundant and cost-efficient photovoltaic and thermoelectric materials. In this work, we revisited the Cu2+xSn1−xS3 system and d...

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Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2021-01, Vol.9 (17), p.10812-10826
Main Authors: Ventrapati, Pavan Kumar, Lemoine, Pierric, Carnevali, Virginia, Gabin Guélou, Lebedev, Oleg I, Boullay, Philippe, Raveau, Bernard, Rabih Al Rahal Al Orabi, nari, Marco, Prestipino, Carmelo, Menut, Denis, Candolfi, Christophe, Malaman, Bernard, Juraszek, Jean, Guilmeau, Emmanuel
Format: Article
Language:English
Subjects:
Carrier mobility
Chemical Sciences
Condensed Matter
Copper
Copper sulfides
Crystal structure
Electron diffraction
Electrons
First principles
Hole mobility
Inorganic chemistry
Material chemistry
Materials Science
Mobility
Mossbauer spectroscopy
Phase diagrams
Photovoltaics
Physics
Spectroscopy
Sphalerite
Sulfide
Synchrotrons
Thermoelectric materials
Tin
Transmission electron microscopy
Transport properties
Zincblende
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Summary:Regardless of the complexity of the phase diagram of the Cu–Sn–S system, several compositions near the prototypical mohite Cu2SnS3 have arisen as potential non-toxic, earth-abundant and cost-efficient photovoltaic and thermoelectric materials. In this work, we revisited the Cu2+xSn1−xS3 system and discovered a monoclinic (C2) ordered sphalerite derivative member, Cu5Sn2S7. Using a combination of synchrotron diffraction and spectroscopy, transmission electron microscopy, precession-assisted electron diffraction tomography, Mössbauer spectroscopy, first principles calculations and transport properties measurements, we discuss the structure–thermoelectric properties relationships and clarify the interesting crystal chemistry in this system. The ternary sulfide Cu5Sn2S7 exhibits a degenerate semiconducting behavior with exceptionally high hole mobility originating from the interplay between atomic ordering and charge delocalization.
ISSN:2050-7488
2050-7496
DOI:10.1039/d1ta01615f