Journal of Materials Chemistry A · 2022 · 24 citations · 45 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsDensity Functional TheoryElectronic Band StructureHeat ConductionOxide SemiconductorsThermal Properties Of MaterialsThermoelectric MaterialsBand AlignmentLattice Thermal ConductivityLattice Thermal TransportSeebeck EffectThermal ConductivityThermoelectric Energy ConversionThermoelectric PropertiesThermoelectric Transport
A hybrid-DFT study shows Y 2 Ti 2 O 5 S 2 is a promising earth-abundant thermoelectric with maximum ZT of 1.18 at 1000 K.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17