Chemistry of Materials · 2019 · 38 citations · 32 references
Natural SciencesMaterials EngineeringMaterials ScienceHeat TransferMaterials ChemistryNanomaterialsHeat ConductionHeat Transfer In SolidsHigh-temperature MaterialsNanocompositesThermal Properties Of MaterialsThermoelectric MaterialsElectrical PropertiesElectron-phonon ScatteringNanoparticlesPhonon ScatteringPoint DefectsThermal TransportThermoelectric PropertiesThermoelectric Transport
In this work, a composite product of Mn-substituted SnTe, SnO2 nanoparticles, and MnTe-supersaturated precipitates has been fabricated by a simple in situ reaction between SnTe and MnO2 for the first time. Benefiting from the synergistic effect induced by the product of in situ reaction, a remarkable improvement in the thermoelectric performance has been achieved. On the one hand, Mn substitution in SnTe can effectively modify the band structure and enhance the electrical properties of SnTe; on the other hand, the thermal transport can also be dramatically suppressed by in situ reaction-derived multiscale phonon scattering by point defects, SnO2 nanoparticles, and supersaturated MnTe precipitates. Ultimately, a maximum ZT of ∼1.5 at 873 K has been achieved in the SnTe + 10 mol % MnO2 sample, which increases by 224% in comparison with the pristine SnTe, representing one of the best results ever reported for SnTe-based thermoelectric materials.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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