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Abstract:
PbS shares several similar features with PbTe and PbSe, and it is much more earth-abundant and inexpensive, which is characteristic of promising Te/Se-free thermoelectric materials for intermediate temperature power generation. However, its thermal conductivity is much higher than those of PbTe and PbSe, which bring a big challenge for obtaining high-performance PbS. In this study, we rationally integrate multiscale structure involving point defects, nanoprecipitates, grain boundaries and dislocations in PbS by doping for decreasing lattice thermal conductivity and simultaneously tuning energy band configuration. Density functional theory (DFT) calculations demonstrate that the ClS–SbPb defects with the lowest formation energy create an obvious shallow donor band and push upward-moving Fermi level, in good agreement with high electrical transport properties. Remarkably, PbS-0.067%PbCl2-1.5%Sb sample presents outstanding ZT of ~1.0 at 823 K and averaged ZT of ~0.62 at 423–823 K due to a low lattice thermal conductivity and a high power factor. © 2020 Elsevier Ltd
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Nano Energy
ISSN: 2211-2855
Year: 2020
Volume: 74
1 7 . 8 8 1
JCR@2020
1 7 . 8 8 1
JCR@2020
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:84
CAS Journal Grade:1
Cited Count:
WoS CC Cited Count: 19
SCOPUS Cited Count: 39
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 4
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