Thermoelectric properties of A-site deficient La-doped SrTiO3 at 100–900 °C under reducing conditions

Singh, Sathya Prakash; Kanas, Nikola; Desissa, Temesgen Debelo; Johnsson, Mats; Einarsrud, Mari‐Ann; Norby, Truls; Wiik, Kjell

doi:10.1016/j.jeurceramsoc.2019.09.024

Cited by 43 publications

(21 citation statements)

References 51 publications

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“…The thermal conductivity of the co-sintered LST-GDC particles is predicted to have a value of 5.83 W m −1 K −1 at the sintered temperature of 1673 K, with a time correlation of 100 ps. Compared with the results of previous work (5-8 W m −1 K −1 ) [49,50], the evaluated thermal conductivity value from this study is well within the range. Figure 18.…”

Section: Simulation Of Co-sintering Lst-gdc Multi-nanoparticlessupporting

confidence: 82%

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

et al. 2020

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During development of substitute anode materials suitable for solid oxide fuel cell (SOFC), understanding of sintering mechanisms and effects is significant for synthesized porous structures and performance. A molecular dynamics (MD) model is developed and applied in this study for the SOFC anode sintered materials to reveal the sintering condition effects. It is predicted that, for the case of two nanoparticles of electron-conducting La-doped SrTiO3 (LST), the higher the sintering temperature, the faster the aggregation of nanoparticles and the higher the sintering degree. An increase in the nanoparticle size could delay the sintering, process but does not affect the final sintering degree. The MD model is further applied for the case of the multi-nanoparticles containing LST and ion-conducting electrolyte materials of gadolinium-doped ceria (GDC), i.e., the LST-GDC particles. The sintering conditions and effects on the LST-GDC particles are evaluated, in terms of the mean square displacement (MSD) and various structural parameters. Two important thermal properties are also calculated that agree well with the experimental values. The findings obtained from this study are useful to identify the optimized sintering parameters for development of the SOFC electrode materials.

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Section: Simulation Of Co-sintering Lst-gdc Multi-nanoparticlessupporting

confidence: 82%

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

et al. 2020

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“…2. 19 Thus, the combination of the specific n-and p-type TE materials chosen here is challenging even for low-temperature applications in air.…”

Section: Characterization Of Te Modulesmentioning

confidence: 99%

“…LSTO ceramics were prepared by cold isostatic pressing (200 MPa) followed by sintering in a tube furnace (Nabertherm) at 1300°C for 4 h under 5% H 2 /Ar, while CCO-SP ceramics were prepared by spark plasma sintering (SPS) at 870°C and 50 MPa for 2 min. We recently showed that the SSR route, which usually gives microstructures with larger grains, results in better TE performance of LSTO ceramics, 19 while the opposite trend was observed for CCO, 15 hence different sintering techniques were used.…”

Section: Introductionmentioning

confidence: 99%

Performance of a Thermoelectric Module Based on n-Type (La0.12Sr0.88)0.95TiO3−δ and p-Type Ca3Co4−xO9+δ

Kanas

Skomedal

Desissa

et al. 2020

Journal of Elec Materi

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Here, we present the performance of a thermoelectric (TE) module consisting of n-type (La 0.12 Sr 0.88 ) 0.95 TiO 3 and p-type Ca 3 Co 4Àx O 9+d materials. The main challenge in this investigation was operating the TE module in different atmospheric conditions, since n-type has optimum TE performance at reducing conditions, while p-type has optimum at oxidizing conditions. The TE module was exposed to two different atmospheres and demonstrated higher stability in N 2 atmosphere than in air. The maximum electrical power output decreased after 40 h when the hot side was exposed to N 2 at 600°C, while only 1 h at 400°C in ambient air was enough to oxidize (La 0.12 Sr 0.88 ) 0.95 TiO 3 followed by a reduced electrical power output. The module generated maximum electrical power of 0.9 mW ($ 4.7 mW/cm 2 ) at 600°C hot side and DT $ 570 K in N 2 , and 0.15 mW ($ 0.8 mW/cm 2 ) at 400°C hot side and DT $ 370 K in air. A stability limit of Ca 3 Co 3.93 O 9+d at $ 700°C in N 2 was determined by in situ high-temperature x-ray diffraction.

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“…Thus, thermoelectric generators are environment‐friendly energy conversion devices with excellent advantages over the other devices [1]. A wide range of materials like chalcogenides, oxide perovskites, hybrid perovskites, organic compounds, skutterudites, triple point metals, Half‐Heusler and antiperovskites [2–9] has been used as potential thermoelectric devices. Kamlesh et al [10] have investigated optoelectronic and thermoelectric parameters of XScZ (X = Li, Na and K; Z = C, Si and Ge) Half‐Heusler materials within DFT and concluded that these compounds may be efficiently employed in photovoltaic applications and manifest high figure of merit resulting it as a potentially thermoelectric candidate.…”

Section: Introductionmentioning

confidence: 99%

Electronic and thermo‐physical properties of double antiperovskites X₆SOA₂ (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials

Rani

Kamlesh

Agarwal

et al. 2021

Int J of Quantum Chemistry

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We have explored the structural, electronic and transport parameters of cubic double antiperovskite structure X6SOA2 (X = Na, K and A = Cl, Br, I) using density functional theory followed by the solution of Boltzmann transport equation with constant relaxation time approximation. The exchange and correlation potential are described by the PBE‐GGA; the Becke‐Johnson approach modified by Tran and Blaha (TB‐mBJ) has been used to model the exchange‐correlation potential. Band gap of these materials have been found in between 2.85–4.24 eV. Thermoelectric properties have been computed at 300, 600 and 900 K. It has been found that figure of merit of double antiperovskite materials approaches to unity in both n‐ and p‐type regions. Hence these materials may turn out to be potential thermoelectric candidates. As these properties of the titled compounds have been explored for the very first time, hence, this work may open a new panorama for various detailed experimental and theoretical studies in the quest for non‐toxic, environmentally safe, and efficient energy sources.

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Thermoelectric properties of A-site deficient La-doped SrTiO3 at 100–900 °C under reducing conditions

Cited by 43 publications

References 51 publications

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

Performance of a Thermoelectric Module Based on n-Type (La0.12Sr0.88)0.95TiO3−δ and p-Type Ca3Co4−xO9+δ

Electronic and thermo‐physical properties of double antiperovskites X₆SOA₂ (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials

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Thermoelectric properties of A-site deficient La-doped SrTiO3 at 100–900 °C under reducing conditions

Cited by 43 publications

References 51 publications

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

Sintering Process and Effects on LST and LST-GDC Particles Simulated by Molecular Dynamics Modeling Method

Performance of a Thermoelectric Module Based on n-Type (La0.12Sr0.88)0.95TiO3−δ and p-Type Ca3Co4−xO9+δ

Electronic and thermo‐physical properties of double antiperovskites X6SOA2 (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials

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Product

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Thermoelectric properties of A-site deficient La-doped SrTiO3 at 100–900 °C under reducing conditions

Electronic and thermo‐physical properties of double antiperovskites X₆SOA₂ (X = Na, K and A = Cl, Br, I): A non‐toxic and efficient energy storage materials