Evolution of layered yttrium hydroxide nitrate particles during controlled double-jet precipitation

Aleshin, Danil K.; Mashkovtsev, Maxim A.; Рычков, В. Н.; Bunkov, Grigory; Baksheev, Evgenie O.; Zhirenkina, Nina V.

doi:10.1016/j.powtec.2020.08.013

Cited by 8 publications

(4 citation statements)

References 38 publications

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“…On the contrary, crystallites interact less favorably when stacking cationic layers and interlayers one over the other, thus resulting in lower heights than widths. This view of the relation between the plate-like morphology and the inner structure of LDH has already allowed a better understanding of the morphology of LDH based structures in other works (Li et al, 2018;Prestopino et al, 2019;Wu et al, 2019;Aleshin et al, 2020;Roberts et al, 2020).…”

Section: Density Functional Theory With Periodic Modelsmentioning

confidence: 87%

Layered double hydroxides for corrosion-related applications—Main developments from 20 years of research at CICECO

et al. 2022

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This work describes the main advances carried out in the field of corrosion protection using layered double hydroxides (LDH), both as additive/pigment-based systems in organic coatings and as conversion films/pre-treatments. In the context of the research topic “Celebrating 20 years of CICECO”, the main works reported herein are based on SECOP’s group (CICECO) main advances over the years. More specifically, this review describes structure and properties of LDH, delving into the corrosion field with description of pioneering works, use of LDH as additives to organic coatings, conversion layers, application in reinforced concrete and corrosion detection, and environmental impact of these materials. Moreover, the use of computational tools for the design of LDH materials and understanding of ion-exchange reactions is also presented. The review ends with a critical analysis of the field and future perspectives on the use of LDH for corrosion protection. From the work carried out LDH seem very tenable, versatile, and advantageous for corrosion protection applications, although several obstacles will have to be overcome before their use become commonplace.

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Section: Density Functional Theory With Periodic Modelsmentioning

confidence: 87%

Layered double hydroxides for corrosion-related applications—Main developments from 20 years of research at CICECO

et al. 2022

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“…This lead to the formation of a spherical polycrystalline secondary particle structure. 98,99 Furthermore, spherulitic crystallization as underlying particle growth mechanism was identified for several materials such as Li 2 CO 3 , 100 Y 2 (OH) 5 (NO 3 ), 101 and l-glutamic acid. 102 This conclusion was in contrast with the formerly assumed agglomeration mechanism of primary particles or nano-crystals resulting in the formation of secondary particles.…”

Section: Runmentioning

confidence: 99%

Investigation of the Particle Formation Mechanism during Coprecipitation of Ni-Rich Hydroxide Precursor for Li-Ion Cathode Active Material

Berk,

Beierling,

Metzger

et al. 2023

J. Electrochem. Soc.

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Industrial production of cathode active material (CAM) for lithium-ion batteries is conducted by coprecipitation of a hydroxide (NixCoyMnz(OH)2) precursor (referred to as pCAM) in a stirred tank reactor and subsequent high-temperature calcination of the pCAM with a lithium compound. The physical properties of the resulting CAM are significantly affected by the associated pCAM utilized for synthesis. For an economical manufacturing of pCAM and CAM, the pCAM particle size and sphericity during the coprecipitation reaction must be precisely controlled, requiring an in-depth understanding of the NixCoyMnz(OH)2 particle formation mechanism. Therefore, the development of the secondary particle size and morphology throughout the semi-batch coprecipitation of Ni0.8Co0.1Mn0.1(OH)2 at various stirring speeds was monitored by light scattering and SEM imaging, respectively. A two-stage particle formation mechanism was identified: In the initial seeding phase, irregular-shaped secondary particles agglomerates are formed, which in the subsequent growth phase linearly increase in size with the third square root of time, governed by the growth of individual primary particles. Thereby, the degree of turbulence governs the initial agglomerate size and number formed during seeding, which dictates the growth rate and the secondary particle sphericity. Finally, the proposed particle formation mechanism is compared to mechanisms prevailing in the literature.

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“…[149] These results have subsequently been used to interpret the morphology of LDH particles by other authors. [150][151][152][153][154] DFT calculations employing periodic models were also used to understand why formamide is the solvent of choice to promote the exfoliation of LDH particles to form single layer nanosheets. [155][156][157][158][159] It was revealed that, as formamide molecules substitute water molecules in the interlayer during the exfoliation treatment, the distance between cationic layers increases while the layer separation energy decreases.…”

Section: Layered Double Hydroxidesmentioning

confidence: 99%

“…[ 149 ] These results have subsequently been used to interpret the morphology of LDH particles by other authors. [ 150–154 ]…”

Section: Computational Studies Of Materialsmentioning

confidence: 99%

Multiscale Computational Approaches toward the Understanding of Materials

Bordonhos

Galvão

Gomes

et al. 2022

Advcd Theory and Sims

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Herewith, an overview of the group's collaborative research efforts on the development and deployment of computational approaches to understand materials and tools at different length and time scales is presented. The techniques employed range from quantum mechanical approaches based on the density functional theory to classical atomistic and coarse-grained force field methods, targeting molecular systems composed of a few to several million atoms at different levels of detail. These new tools and molecular models are presented to the computational materials science community so they can be used in more realistic molecular modelling studies of the properties of materials and their dependence on subtle modifications of their structures. The review concludes by presenting a selection of recent computational case-studies oriented toward the understanding of the synthesis of materials, the interpretation of unexpected experimental results, the prediction of material properties, and the materials selection based on their characteristics for applications in areas such as gas adsorption/separation, corrosion protection, and catalysis.

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Evolution of layered yttrium hydroxide nitrate particles during controlled double-jet precipitation

Cited by 8 publications

References 38 publications

Layered double hydroxides for corrosion-related applications—Main developments from 20 years of research at CICECO

Layered double hydroxides for corrosion-related applications—Main developments from 20 years of research at CICECO

Investigation of the Particle Formation Mechanism during Coprecipitation of Ni-Rich Hydroxide Precursor for Li-Ion Cathode Active Material

Multiscale Computational Approaches toward the Understanding of Materials

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