Abstract
Semiconducting Ba6−3xNd8+2xTi18O54 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 S1000K = 210 µV/K, electrical conductivity of σ1000K = 60 S/cm, and thermal conductivity of k1000K = 1.45 W/(m K), leading to a ZT value of 0.16 at 1000 K.
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