Significant Improvement in Electrical Conductivity and Figure of Merit of Nanoarchitectured Porous SrTiO3 by La Doping Optimization.

SrTiO3 is a well-studied n-type metal oxide based thermoelectric (TE) material. In this work, the first-principles calculation of La-doped SrTiO3 has been performed using the density functional theory. In addition, high TE properties of bulk SrTiO3 material have been achieved by introducing nanoscale porosity and optimizing carrier concentration by La doping. The X-ray diffraction, atomic resolution scanning transmission electron microscopy imaging, and energy-dispersive X-ray spectrometry results show that La has been doped successfully into the lattice. The scanning electron microscopy images confirm that all the samples have nearly similar nanoscale porosities. The significant enhancement of electrical conductivity over the broad temperature range has been observed through optimization of La doping. Additionally, the samples possess very low thermal conductivity, which is speculated because of the nanoscale porosity of the samples. Because of this dual mechanism of doping optimization and nanoscale porosity, there is a remarkable improvement in power factor, 1 mW/m2K from 650 to 800 K, and figure of merit, zT of 0.26 at 850 K, of the sample, 22 at. % La-doped SrTiO3.

Enhancement of thermoelectric properties of La-doped SrTiO3 bulk by introducing nanoscale porosity.

Electron-doped SrTiO3 is a well-known n-type thermoelectric material, although the figure of merit of SrTiO3 is still inferior compared with p-type metal oxide-based thermoelectric materials due to its high lattice thermal conductivity. In this study, we have used a different amount of the non-ionic surfactant F127 during sample preparation to introduce nanoscale porosities into bulk samples of La-doped SrTiO3. It has been observed that the porosities introduced into the bulk sample significantly improve the Seebeck coefficient and reduce the thermal conductivity by the charge carrier and phonon scattering respectively. Therefore, there is an overall enhancement in the power factor (PF) followed by a dimensionless figure of merit (zT) over a wide scale of temperature. The sample 20 at% La-doped SrTiO3 with 600 mg of F127 surfactant (SLTO 600F127) shows the maximum PF of 1.14 mW m-1 K-2 at 647 K which is 35% higher than the sample without porosity (SLTO 0F127), and the same sample (SLTO 600F127) shows the maximum value of zT is 0.32 at 968 K with an average enhancement of 62% in zT in comparison with the sample without porosity (SLTO 0F127).