Manganese-doped ceria nanoparticles grain growth kinetics

Kurajica, Stanislav; Munda, Ivana Katarina; Brleković, Filip; Mužina, Katarina; Dražić, Goran; Šipušić, Juraj; Mihaljević, Monika

doi:10.1016/j.jssc.2020.121600

Cited by 10 publications

(10 citation statements)

References 34 publications

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“…The reason is that the grain growth is a result of grain boundary migration, which is strongly influenced by the point defects in solutes and vacancies . Thus, the introduction of defects by doping may inhibit grain growth due to slowed cation diffusion . The replacement of Te and Se can also increase the nucleation density.…”

Section: Resultsmentioning

confidence: 99%

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

et al. 2022

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In recent years, skutterudite filled with electronegative elements (S, Se, Cl, Br) has attracted the extensive attention of researchers. By doping electron donors (Pb, Ni, or Te, S, Se) at the Co or Sb sites, the electronegative elements can form thermodynamically stable compounds in the intrinsic pores of the skutterudite, substantially expanding the research scope of skutterudite. In this study, S0.05Co4Sb11.3Te0.6Se0.1 skutterudite was synthesized at high pressure and high temperature, with a pressure range of 2.0–3.5 GPa. The phase composition, micro-morphology, and electrical and thermal transport properties were systematically characterized. The micromorphology analysis shows that the introduction of S element and substituting Te and Se at the Sb sites inhibit the grain growth in a suitable high-pressure environment. Substantial differences are observed in the directions of the lattice stripes in the samples, and rich grain boundaries and many lattice distortions and dislocation defects occur. The carrier concentration can be optimized by filling the voids of the skutterudite with a few S atoms, and the thermoelectric properties can be optimized by scattering phonons through resonance scattering and defect scattering. The samples synthesized at a pressure of 3.0 GPa and a temperature of 900 K have a maximum power factor of 23.85 × 10–4 W m–1 K–2 and a maximum zT value of 1.30 at a test temperature of 773 K.

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Section: Resultsmentioning

confidence: 99%

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

et al. 2022

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“…When n=2 indicates that grain development is primarily controlled by the curvature of the grain boundary, n=3 shows that grain growth is primarily controlled by volume diffusion, and n=4 indicates that grain growth is primarily controlled by atoms crossing the grain border randomly. When n>4, the growth control is very complex, which is the common control of the first several mechanisms [37][38][39]. The growth control was different for different Fe doping amounts; that is, when the Fe doping amount reached a certain level, it affected the growth mechanism of gold-red titanium dioxide grains.…”

Section: Grain Growth Kinetics Of Rutile 321 Rutile Type Tio 2 Grain ...mentioning

confidence: 99%

Kinetic study on the effect of iron on the grain growth of rutile-type TiO₂ under in situ conditions

Xue

Luo

Long

et al. 2022

Mater. Res. Express

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There have been many studies on the growth kinetics of titanium dioxide and doped titanium dioxide. However, most calculated the grain size after isothermal treatment and cooling to room temperature; thus, the real grain size of titanium dioxide at the real-time temperature during heat treatment could not be obtained. This study thus aimed to obtain accurate grain information during the heat treatment process. In this study, titanium oxysulfate (TiOSO4) and ferric chloride (FeCl3·6H2O) were used to hydrolyze and precipitate TiO2 precursors containing impurity iron. Then, the sample was subjected to high-temperature in situ X-ray diffraction. Using the Williamson–Hall mapping method to process the X-ray diffraction information, the grain size could be used to characterize changes in the grain size, and the change law of TiO2 during the heat treatment process was studied. Furthermore, the effect of Fe doping on the growth of TiO2 crystals was examined through the crystal growth kinetics. The results revealed that when the Fe doping amount reached a certain level, it affected the growth mechanism of the rutile type titanium dioxide grains, thereby causing a change in the growth order. Specifically, an increase in the Fe doping amount increased the growth activation energy; that is, it inhibited the growth of rutile-type titanium dioxide grains.

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“…In fast oxide-ion conductors, such as fluorite-structured ceria (CeO 2 ), the cations are comparatively immobile, providing a stable framework within which the oxide ions can rapidly migrate. Cation transport, though sluggish, cannot be ignored, however, as it plays a central role in a variety of important phenomena: synthesis, [1][2][3][4] grain growth, [5][6][7] sintering, [8][9][10] conditioning, [11,12] creep, [13,14] interdiffusion, [15][16][17][18][19] kinetic demixing, [20,21] dopant segregation [17,[22][23][24][25] and accumulation at extended defects, [26,27] and the precipitation of second phases. [28,29] For some phenomena (e.g., sintering), an acceleration of this sluggish process is desirable, in order to reduce the energy needed in the hightemperature production step; whereas for other phenomena (e.g., kinetic demixing), a retardation is sought (at much lower temperatures but for much longer times), in order to prolong the material's operational lifetime.…”

Section: Introductionmentioning

confidence: 99%

The Sluggish Diffusion of Cations in CeO₂ Probed through Molecular Dynamics and Metadynamics Simulations

et al. 2023

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Cation diffusion in fluorite‐structured CeO2, though far slower than anion diffusion, is an important, high‐temperature process because it governs diverse fabrication and degradation phenomena. Herein, cation diffusion is studied by means of classical molecular dynamics and metadynamics simulations. Three different mechanisms are examined: migration involving an isolated cerium vacancy, migration involving a cerium vacancy in a defect associate with an oxygen vacancy, and migration involving a cation divacancy. For each mechanism, defect diffusion coefficients are calculated as a function of temperature, from which the respective activation enthalpy of defect migration is obtained. Through comparisons with experimental cation diffusion data (specifically, of the absolute magnitude of the cation diffusivity as well as its activation enthalpy), it is concluded that cation diffusion takes place predominantly neither by isolated vacancies nor by cation vacancy–oxygen vacancy associates but by cation divacancies.

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Manganese-doped ceria nanoparticles grain growth kinetics

Cited by 10 publications

References 34 publications

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

Kinetic study on the effect of iron on the grain growth of rutile-type TiO₂ under in situ conditions

The Sluggish Diffusion of Cations in CeO₂ Probed through Molecular Dynamics and Metadynamics Simulations

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Manganese-doped ceria nanoparticles grain growth kinetics

Cited by 10 publications

References 34 publications

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

Synthesis Optimization and Thermoelectric Properties of S-Filled and Te-Se Double-Substituted Skutterudite under High Pressure

Kinetic study on the effect of iron on the grain growth of rutile-type TiO2 under in situ conditions

The Sluggish Diffusion of Cations in CeO2 Probed through Molecular Dynamics and Metadynamics Simulations

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Kinetic study on the effect of iron on the grain growth of rutile-type TiO₂ under in situ conditions

The Sluggish Diffusion of Cations in CeO₂ Probed through Molecular Dynamics and Metadynamics Simulations