Ba6−3x Nd8+2x Ti18O54 Tungsten Bronze: A New High-Temperature n-Type Oxide Thermoelectric
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Semiconducting Ba6−3x Nd8+2x Ti18O54 ceramics (with x = 0.00 to 0.85) were synthesized by the mixed oxide route followed by annealing in a reducing atmosphere; their high-temperature thermoelectric properties have been investigated. In conjunction with the experimental observations, atomistic simulations have been performed to investigate the anisotropic behavior of the lattice thermal conductivity. The ceramics show promising n-type thermoelectric properties with relatively high Seebeck coefficient, moderate electrical conductivity, and temperature-stable, low thermal conductivity; For example, the composition with x = 0.27 (i.e., Ba5.19Nd8.54Ti18O54) exhibited a Seebeck coefficient of S 1000K = 210 µV/K, electrical conductivity of σ 1000K = 60 S/cm, and thermal conductivity of k 1000K = 1.45 W/(m K), leading to a ZT value of 0.16 at 1000 K.
KeywordsOxide ceramic tungsten bronze titanate thermal conductivity thermoelectric molecular dynamics modelling
This work was supported by EPSRC Grants EP/1036230, EP/J000620, EP/K016288/1, and EP/I03601X/1. Computational work was run on ARCHER through the Materials Chemistry Consortium funded by EPSRC Grant No. EP/L000202.
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