Functional nanoceramics for intermediate temperature solid oxide fuel cells and oxygen separation membranes

Sadykov, Vladіslav; Usoltsev, Vladimir; Yeremeev, N.; Mezentseva, Natalia; Pelipenko, Vladimir; Krieger, Tamara; Belyaev, V. D.; Sadovskaya, E. M.; Muzykantov, V.S.; Fedorova, Yulia E.; Lukashevich, Anton I.; Ищенко, А. В.; Саланов, А. Н.; Okhlupin, Yu. S.; Уваров, Н. Ф.; Smorygo, Oleg; Arzhannikov, A. V.; Korobeynikov, Mikhail; Thumm, M. K. A

doi:10.1016/j.jeurceramsoc.2013.01.007

Cited by 37 publications

(21 citation statements)

References 36 publications

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“…Similar evidence for misfit dislocations across mismatched oxide heterostructures are reported in numerous experimental studies, wherein the research is aimed toward synthesis and design of advanced semi‐coherent oxide heterostructures for a wide range of applications. To quote a few pertinent applications, the role of misfit dislocations in semi‐coherent oxide heterostructures have been investigated for applications related to fast ion conduction, enhanced radiation damage, ferroelectrics, catalysis, and transparent conducting semiconductors . However, experimentally characterizing individual columns of atoms at misfit dislocations is arduous due to the complex structure of dislocation cores.…”

Section: Semi‐coherent Complex Oxide Heterostructures and Misfit Dislmentioning

confidence: 99%

Beyond Coherent Oxide Heterostructures: Atomic‐Scale Structure of Misfit Dislocations

Dholabhai

Uberuaga

2019

Advcd Theory and Sims

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Nanoscale design of complex oxide heterostructures and thin films is imperative as they have significant promise in novel technological applications. A coherent interface is formed in oxide heterostructures with small mismatches, and the lattice mismatch is completely compensated by elastic strain. In semi-coherent oxide heterostructures, when an epitaxial layer is grown on the substrate above the critical thickness of the film, misfit dislocations are formed to mitigate the strain between the two materials with dissimilar lattice constants. Key properties of semi-coherent oxide heterostructures are influenced or even controlled by the presence of misfit dislocations. Therefore, it is critical to understand the atomic-scale structure of semi-coherent oxide heterostructures, specifically the structure of misfit dislocations that are ubiquitous at such heterointerfaces. Numerous state-of-the-art experiments have reported emergent phenomena at semi-coherent oxide heterostructures, wherein misfit dislocations play a crucial role. However, their atomic-scale and nanoscale structure is not always discernable from experiments. Due to large system sizes, computational studies dedicated to examining misfit dislocations in semi-coherent oxide heterostructures are still in their infancy. This review aims to summarize the recent advancements and challenges involved in computational studies elucidating the atomic-scale structure of misfit dislocations in semi-coherent oxide heterostructures and motivate future computational efforts.

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Section: Semi‐coherent Complex Oxide Heterostructures and Misfit Dislmentioning

confidence: 99%

Beyond Coherent Oxide Heterostructures: Atomic‐Scale Structure of Misfit Dislocations

Dholabhai

Uberuaga

2019

Advcd Theory and Sims

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“…It has been argued that the mismatch strain between fluorite-perovskite heterointerfaces increases the ionic mobility of the interface in fast ion conductors. 4,[11][12][13] Considering this observation, the present results indicate that steps at the fluorite-perovskite interface (for instance steps 1 and 2) could further increase the mobility of oxy-gen ions leading to improved ionic conductivity in fast ion conductors.…”

Section: Behavior Of O Vac At Stepped Interfacementioning

confidence: 55%

“…10 Perovskite-fluorite nanocomposites having mixed ionic-electronic conductivity are central to the design of advanced cathodes used in intermediate temperature Solid Oxide Fuel Cells (SOFC) and oxygen separation membranes where the perovskite-fluorite interfaces act as pathways for fast ion conduction. 4,[11][12][13] In addition to the aforementioned multi-functionality, one of the most fundamental applications of ceramic oxides and ceramic-ceramic composites is use as nuclear fuels and waste forms, where their outstanding radiation endurance is invaluable. 14,15 However, not all ceramics can survive high irradiation doses and high temperatures.…”

Section: Introductionmentioning

confidence: 99%

Defect interactions with stepped CeO2/SrTiO3 interfaces: Implications for radiation damage evolution and fast ion conduction

Dholabhai

Aguiar

Misra

et al. 2014

The Journal of Chemical Physics

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Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer improved functionalities in a wide variety of advanced technological applications, including their potential use as radiation tolerant materials. To better understand the role of interface structures in influencing the radiation damage tolerance of oxides, we have conducted atomistic calculations to elucidate the behavior of radiation-induced point defects (vacancies and interstitials) at interface steps in a model CeO2/SrTiO3 system. We find that atomic-scale steps at the interface have substantial influence on the defect behavior, which ultimately dictate the material performance in hostile irradiation environments. Distinctive steps react dissimilarly to cation and anion defects, effectively becoming biased sinks for different types of defects. Steps also attract cation interstitials, leaving behind an excess of immobile vacancies. Further, defects introduce significant structural and chemical distortions primarily at the steps. These two factors are plausible origins for the enhanced amorphization at steps seen in our recent experiments. The present work indicates that comprehensive examination of the interaction of radiation-induced point defects with the atomic-scale topology and defect structure of heterointerfaces is essential to evaluate the radiation tolerance of nanocomposites. Finally, our results have implications for other applications, such as fast ion conduction.

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“…LaAl 11 O 18 and LaAlO 3 samples were synthesized by a modified Pechini route from ethylene glycol -citric ester polyester precursors [22]. After aerobic decomposition of the polymeric precursors 400 • C, further calcination of the samples with preservation of the carbon shell was carried out under argon at 700 -1300 • C. So, the procedure used for synthesis of core-shell samples was different for this material.…”

Section: Methodsmentioning

confidence: 99%

High-temperature synthesis of finely dispersed oxide materials and C12A7:e electrides in carbon nanoreactor conditions

Володин¹,

Bedilo²,

Stoyanovskii³

et al. 2018

Nanosystems: Phys. Chem. Math.

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Solid-state transformations of the oxide core in core-shell structures Oxide@C consisting of oxide nanoparticles covered with a carbon coating were studied at temperatures of up to 1500 • C. It is shown that such coating can stabilize the size of the oxide core nanoparticles for alumina, zirconia, calcium and lanthanum aluminates and act as a shell of a nanoreactor where phase and chemical transformation can take place. For ZrO 2 @C and Al 2 O 3 @C it is demonstrated that it is the preservation of the small particle size that accounts for the preservation of cubic ZrO 2 and δ-Al 2 O 3 until the carbothermal reduction temperatures of the corresponding oxides (above 1400 • C for Al 2 O 3). The electride state C12A7:e is shown to be formed in C12A7@C material at temperatures above its melting point. The surface of activated C12A7 was found to have a significant concentration of active OH radicals capable of converting diphenylamine into stable nitroxyl radicals.

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Functional nanoceramics for intermediate temperature solid oxide fuel cells and oxygen separation membranes

Cited by 37 publications

References 36 publications

Beyond Coherent Oxide Heterostructures: Atomic‐Scale Structure of Misfit Dislocations

Beyond Coherent Oxide Heterostructures: Atomic‐Scale Structure of Misfit Dislocations

Defect interactions with stepped CeO2/SrTiO3 interfaces: Implications for radiation damage evolution and fast ion conduction

High-temperature synthesis of finely dispersed oxide materials and C12A7:e electrides in carbon nanoreactor conditions

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